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

65
Patents

203.03647 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.043746 140.4
[M+Na]+ 226.025688 150.4
[M-H]- 202.029194 143.9
[M+NH4]+ 221.070293 159.7
[M+K]+ 241.999628 149.7
[M+H-H2O]+ 186.033730 133.9
[M+HCOO]- 248.034671 160.0
[M+CH3COO]- 262.050321 184.8
[M+Na-2H]- 224.011136 144.3
[M]+ 203.03592142 145.7
[M]- 203.03701858 145.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe