CID 143037

4-amino-3-methylbenzenesulfonamide

Structural Information

Molecular Formula
C7H10N2O2S
SMILES
CC1=C(C=CC(=C1)S(=O)(=O)N)N
InChI
InChI=1S/C7H10N2O2S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,8H2,1H3,(H2,9,10,11)
InChIKey
IGQGXIVCGKMRAM-UHFFFAOYSA-N
Compound name
4-amino-3-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

426
Patents

186.0463 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05358 136.0
[M+Na]+ 209.03552 145.1
[M-H]- 185.03902 139.5
[M+NH4]+ 204.08012 155.5
[M+K]+ 225.00946 141.7
[M+H-H2O]+ 169.04356 130.3
[M+HCOO]- 231.04450 155.6
[M+CH3COO]- 245.06015 182.8
[M+Na-2H]- 207.02097 139.8
[M]+ 186.04575 135.3
[M]- 186.04685 135.3
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