CID 17787687

2-ethyl-5-formyl-n,n-dimethyl-1h-imidazole-1-sulfonamide

Structural Information

Molecular Formula
C8H13N3O3S
SMILES
CCC1=NC=C(N1S(=O)(=O)N(C)C)C=O
InChI
InChI=1S/C8H13N3O3S/c1-4-8-9-5-7(6-12)11(8)15(13,14)10(2)3/h5-6H,4H2,1-3H3
InChIKey
HKSCPYHWJZLHGC-UHFFFAOYSA-N
Compound name
2-ethyl-5-formyl-N,N-dimethylimidazole-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

231.06776 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.07504 148.8
[M+Na]+ 254.05698 158.8
[M-H]- 230.06048 152.3
[M+NH4]+ 249.10158 167.2
[M+K]+ 270.03092 157.6
[M+H-H2O]+ 214.06502 142.2
[M+HCOO]- 276.06596 167.7
[M+CH3COO]- 290.08161 192.0
[M+Na-2H]- 252.04243 151.1
[M]+ 231.06721 155.2
[M]- 231.06831 155.2
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