CID 11064601

4-amino-n,n-dimethyl-2-sulfamoylbenzamide

Structural Information

Molecular Formula
C9H13N3O3S
SMILES
CN(C)C(=O)C1=C(C=C(C=C1)N)S(=O)(=O)N
InChI
InChI=1S/C9H13N3O3S/c1-12(2)9(13)7-4-3-6(10)5-8(7)16(11,14)15/h3-5H,10H2,1-2H3,(H2,11,14,15)
InChIKey
JZMQASXQOGVTND-UHFFFAOYSA-N
Compound name
4-amino-N,N-dimethyl-2-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

15
Patents

243.06776 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.07504 151.0
[M+Na]+ 266.05698 158.2
[M-H]- 242.06048 155.5
[M+NH4]+ 261.10158 168.1
[M+K]+ 282.03092 156.3
[M+H-H2O]+ 226.06502 144.2
[M+HCOO]- 288.06596 170.7
[M+CH3COO]- 302.08161 199.0
[M+Na-2H]- 264.04243 152.9
[M]+ 243.06721 151.5
[M]- 243.06831 151.5
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