CID 10397966

4-formyl-n,n-dimethyl-1h-imidazole-1-sulfonamide

Structural Information

Molecular Formula

C₆H₉N₃O₃S

SMILES

CN(C)S(=O)(=O)N1C=C(N=C1)C=O

InChI

InChI=1S/C6H9N3O3S/c1-8(2)13(11,12)9-3-6(4-10)7-5-9/h3-5H,1-2H3

InChIKey

BBTZETLXNQDZKF-UHFFFAOYSA-N

Compound name

4-formyl-N,N-dimethylimidazole-1-sulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 203.03647 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]+	204.04375	142.9
[M+Na]+	226.02569	151.9
[M+NH4]+	221.07029	148.7
[M+K]+	241.99963	148.7
[M-H]-	202.02919	141.6
[M+Na-2H]-	224.01114	146.3
[M]+	203.03592	143.9
[M]-	203.03702	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe