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]+ 215.04849 142.8
[M+Na]+ 237.03043 151.2
[M-H]- 213.03393 146.1
[M+NH4]+ 232.07503 160.8
[M+K]+ 253.00437 148.0
[M+H-H2O]+ 197.03847 136.8
[M+HCOO]- 259.03941 161.4
[M+CH3COO]- 273.05506 188.0
[M+Na-2H]- 235.01588 145.2
[M]+ 214.04066 142.6
[M]- 214.04176 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