CID 12578651

2-methyl-5-sulfamoylbenzamide

Structural Information

Molecular Formula
C8H10N2O3S
SMILES
CC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)N
InChI
InChI=1S/C8H10N2O3S/c1-5-2-3-6(14(10,12)13)4-7(5)8(9)11/h2-4H,1H3,(H2,9,11)(H2,10,12,13)
InChIKey
BZWIKRDSKCFXPT-UHFFFAOYSA-N
Compound name
2-methyl-5-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

214.04121 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.048486 142.8
[M+Na]+ 237.030428 151.2
[M-H]- 213.033934 146.1
[M+NH4]+ 232.075033 160.8
[M+K]+ 253.004368 148.0
[M+H-H2O]+ 197.038470 136.8
[M+HCOO]- 259.039411 161.4
[M+CH3COO]- 273.055061 188.0
[M+Na-2H]- 235.015876 145.2
[M]+ 214.04066142 142.6
[M]- 214.04175858 142.6
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