CID 22747796

1h-imidazole-4-sulfonamide

Structural Information

Molecular Formula
C3H5N3O2S
SMILES
C1=C(NC=N1)S(=O)(=O)N
InChI
InChI=1S/C3H5N3O2S/c4-9(7,8)3-1-5-2-6-3/h1-2H,(H,5,6)(H2,4,7,8)
InChIKey
JAURKIVAGLWIBP-UHFFFAOYSA-N
Compound name
1H-imidazole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

176
Patents

147.01025 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.01753 126.3
[M+Na]+ 169.99947 136.1
[M-H]- 146.00297 126.3
[M+NH4]+ 165.04407 146.0
[M+K]+ 185.97341 133.5
[M+H-H2O]+ 130.00751 120.4
[M+HCOO]- 192.00845 143.8
[M+CH3COO]- 206.02410 166.8
[M+Na-2H]- 167.98492 131.1
[M]+ 147.00970 125.1
[M]- 147.01080 125.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe