PubChemLite - N-[3-[cyclopropyl[6-[3-(2-methoxyethoxy)propyl]-4-hydroxy-2-oxo-2h-pyran-3-yl)methyl]phenyl]-1-methyl-1h-imidazole-4-sulfonamide (C25H31N3O7S)

Structural Information

Molecular Formula

SMILES

CN1C=C(N=C1)S(=O)(=O)NC2=CC=CC(=C2)C(C3CC3)C4=C(C=C(OC4=O)CCCOCCOC)O

InChI

InChI=1S/C25H31N3O7S/c1-28-15-22(26-16-28)36(31,32)27-19-6-3-5-18(13-19)23(17-8-9-17)24-21(29)14-20(35-25(24)30)7-4-10-34-12-11-33-2/h3,5-6,13-17,23,27,29H,4,7-12H2,1-2H3

InChIKey

MEMPZWYMKIENFT-UHFFFAOYSA-N

Compound name

N-[3-[cyclopropyl-[4-hydroxy-6-[3-(2-methoxyethoxy)propyl]-2-oxopyran-3-yl]methyl]phenyl]-1-methylimidazole-4-sulfonamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	518.19558	217.0
[M+Na]+	540.17752	223.7
[M-H]-	516.18102	226.9
[M+NH4]+	535.22212	215.8
[M+K]+	556.15146	218.8
[M+H-H2O]+	500.18556	208.3
[M+HCOO]-	562.18650	230.6
[M+CH3COO]-	576.20215	241.5
[M+Na-2H]-	538.16297	216.1
[M]+	517.18775	228.4
[M]-	517.18885	228.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

518.19558

217.0

[M+Na]+

540.17752

223.7

[M-H]-

516.18102

226.9

[M+NH4]+

535.22212

215.8

[M+K]+

556.15146

218.8

[M+H-H2O]+

500.18556

208.3

[M+HCOO]-

562.18650

230.6

[M+CH3COO]-

576.20215

241.5

[M+Na-2H]-

538.16297

216.1

[M]+

517.18775

228.4

[M]-

517.18885

228.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N-[3-[cyclopropyl[6-[3-(2-methoxyethoxy)propyl]-4-hydroxy-2-oxo-2h-pyran-3-yl)methyl]phenyl]-1-methyl-1h-imidazole-4-sulfonamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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