CID 961874

4-methanesulfonamidobenzamide

Structural Information

Molecular Formula
C8H10N2O3S
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)C(=O)N
InChI
InChI=1S/C8H10N2O3S/c1-14(12,13)10-7-4-2-6(3-5-7)8(9)11/h2-5,10H,1H3,(H2,9,11)
InChIKey
DVCWUTSWCVQZSC-UHFFFAOYSA-N
Compound name
4-(methanesulfonamido)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

85
Patents

214.04121 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.04849 142.7
[M+Na]+ 237.03043 150.2
[M-H]- 213.03393 146.2
[M+NH4]+ 232.07503 160.7
[M+K]+ 253.00437 147.4
[M+H-H2O]+ 197.03847 136.5
[M+HCOO]- 259.03941 162.0
[M+CH3COO]- 273.05506 187.3
[M+Na-2H]- 235.01588 146.9
[M]+ 214.04066 143.1
[M]- 214.04176 143.1
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