CID 136574701

5-methyl-1h-imidazole-4-sulfonamide

Structural Information

Molecular Formula

C₄H₇N₃O₂S

SMILES

CC1=C(N=CN1)S(=O)(=O)N

InChI

InChI=1S/C4H7N3O2S/c1-3-4(7-2-6-3)10(5,8)9/h2H,1H3,(H,6,7)(H2,5,8,9)

InChIKey

CCKPVTGGRKQGCJ-UHFFFAOYSA-N

Compound name

5-methyl-1H-imidazole-4-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 161.0259 Da
Monoisotopic Mass: -0.6
XlogP (predicted)

Profile

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]+	162.033176	130.6
[M+Na]+	184.015118	140.9
[M-H]-	160.018624	130.9
[M+NH4]+	179.059723	150.1
[M+K]+	199.989058	138.0
[M+H-H2O]+	144.023160	124.9
[M+HCOO]-	206.024101	147.8
[M+CH3COO]-	220.039751	171.0
[M+Na-2H]-	182.000566	134.3
[M]+	161.02535142	130.3
[M]-	161.02644858	130.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe