PubChemLite - N-[3-[cyclopropyl-(4-hydroxy-6-oxo-2,2-dipropyl-3h-pyran-5-yl)methyl]phenyl]-1-methyl-imidazole-4-sulfonamide (C25H33N3O5S)

Structural Information

Molecular Formula

SMILES

CCCC1(CC(=C(C(=O)O1)C(C2CC2)C3=CC(=CC=C3)NS(=O)(=O)C4=CN(C=N4)C)O)CCC

InChI

InChI=1S/C25H33N3O5S/c1-4-11-25(12-5-2)14-20(29)23(24(30)33-25)22(17-9-10-17)18-7-6-8-19(13-18)27-34(31,32)21-15-28(3)16-26-21/h6-8,13,15-17,22,27,29H,4-5,9-12,14H2,1-3H3

InChIKey

YUCPJAAJLZXQOZ-UHFFFAOYSA-N

Compound name

N-[3-[cyclopropyl-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-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]+	488.22136	210.7
[M+Na]+	510.20330	217.1
[M-H]-	486.20680	220.0
[M+NH4]+	505.24790	212.8
[M+K]+	526.17724	212.6
[M+H-H2O]+	470.21134	203.5
[M+HCOO]-	532.21228	221.1
[M+CH3COO]-	546.22793	237.5
[M+Na-2H]-	508.18875	209.4
[M]+	487.21353	217.8
[M]-	487.21463	217.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

488.22136

210.7

[M+Na]+

510.20330

217.1

[M-H]-

486.20680

220.0

[M+NH4]+

505.24790

212.8

[M+K]+

526.17724

212.6

[M+H-H2O]+

470.21134

203.5

[M+HCOO]-

532.21228

221.1

[M+CH3COO]-

546.22793

237.5

[M+Na-2H]-

508.18875

209.4

[M]+

487.21353

217.8

[M]-

487.21463

217.8

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

N-[3-[cyclopropyl-(4-hydroxy-6-oxo-2,2-dipropyl-3h-pyran-5-yl)methyl]phenyl]-1-methyl-imidazole-4-sulfonamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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