CID 15240549

N,n-dimethyl-2-aminosulfonyl-4-formamidobenzamide

Structural Information

Molecular Formula
C10H13N3O4S
SMILES
CN(C)C(=O)C1=C(C=C(C=C1)NC=O)S(=O)(=O)N
InChI
InChI=1S/C10H13N3O4S/c1-13(2)10(15)8-4-3-7(12-6-14)5-9(8)18(11,16)17/h3-6H,1-2H3,(H,12,14)(H2,11,16,17)
InChIKey
FYZIKEKHLDPREF-UHFFFAOYSA-N
Compound name
4-formamido-N,N-dimethyl-2-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

35
Patents

271.06268 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.069956 157.0
[M+Na]+ 294.051898 163.8
[M-H]- 270.055404 161.8
[M+NH4]+ 289.096503 173.0
[M+K]+ 310.025838 162.0
[M+H-H2O]+ 254.059940 149.8
[M+HCOO]- 316.060881 177.4
[M+CH3COO]- 330.076531 204.0
[M+Na-2H]- 292.037346 159.7
[M]+ 271.06213142 159.5
[M]- 271.06322858 159.5
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