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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.04375 140.4
[M+Na]+ 226.02569 150.4
[M-H]- 202.02919 143.9
[M+NH4]+ 221.07029 159.7
[M+K]+ 241.99963 149.7
[M+H-H2O]+ 186.03373 133.9
[M+HCOO]- 248.03467 160.0
[M+CH3COO]- 262.05032 184.8
[M+Na-2H]- 224.01114 144.3
[M]+ 203.03592 145.7
[M]- 203.03702 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