CID 3998

Mafenide

Structural Information

Molecular Formula
C7H10N2O2S
SMILES
C1=CC(=CC=C1CN)S(=O)(=O)N
InChI
InChI=1S/C7H10N2O2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5,8H2,(H2,9,10,11)
InChIKey
TYMRLRRVMHJFTF-UHFFFAOYSA-N
Compound name
4-(aminomethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

330
References

20821
Patents

186.0463 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05358 137.2
[M+Na]+ 209.03552 146.8
[M+NH4]+ 204.08012 144.7
[M+K]+ 225.00946 140.7
[M-H]- 185.03902 138.7
[M+Na-2H]- 207.02097 142.5
[M]+ 186.04575 139.2
[M]- 186.04685 139.2
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