PubChemLite - N-[3-[1-(4-hydroxy-6-oxo-2,2-dipropyl-3h-pyran-5-yl)propyl]phenyl]-1-methyl-imidazole-4-sulfonamide (C24H33N3O5S)

Structural Information

Molecular Formula

SMILES

CCCC1(CC(=C(C(=O)O1)C(CC)C2=CC(=CC=C2)NS(=O)(=O)C3=CN(C=N3)C)O)CCC

InChI

InChI=1S/C24H33N3O5S/c1-5-11-24(12-6-2)14-20(28)22(23(29)32-24)19(7-3)17-9-8-10-18(13-17)26-33(30,31)21-15-27(4)16-25-21/h8-10,13,15-16,19,26,28H,5-7,11-12,14H2,1-4H3

InChIKey

DWBYVCQMWSZSHP-UHFFFAOYSA-N

Compound name

N-[3-[1-(4-hydroxy-6-oxo-2,2-dipropyl-3H-pyran-5-yl)propyl]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]+	476.22136	213.2
[M+Na]+	498.20330	218.8
[M-H]-	474.20680	219.6
[M+NH4]+	493.24790	220.4
[M+K]+	514.17724	214.9
[M+H-H2O]+	458.21134	205.0
[M+HCOO]-	520.21228	223.6
[M+CH3COO]-	534.22793	235.2
[M+Na-2H]-	496.18875	211.8
[M]+	475.21353	218.8
[M]-	475.21463	218.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

476.22136

213.2

[M+Na]+

498.20330

218.8

[M-H]-

474.20680

219.6

[M+NH4]+

493.24790

220.4

[M+K]+

514.17724

214.9

[M+H-H2O]+

458.21134

205.0

[M+HCOO]-

520.21228

223.6

[M+CH3COO]-

534.22793

235.2

[M+Na-2H]-

496.18875

211.8

[M]+

475.21353

218.8

[M]-

475.21463

218.8

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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