CID 290500

N-(4-amino-3-methoxyphenyl)methanesulfonamide

Structural Information

Molecular Formula
C8H12N2O3S
SMILES
COC1=C(C=CC(=C1)NS(=O)(=O)C)N
InChI
InChI=1S/C8H12N2O3S/c1-13-8-5-6(3-4-7(8)9)10-14(2,11)12/h3-5,10H,9H2,1-2H3
InChIKey
JBEUZJVHYAAMNF-UHFFFAOYSA-N
Compound name
N-(4-amino-3-methoxyphenyl)methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

216.05687 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06415 145.0
[M+Na]+ 239.04609 154.6
[M+NH4]+ 234.09069 151.9
[M+K]+ 255.02003 148.8
[M-H]- 215.04959 146.3
[M+Na-2H]- 237.03154 149.9
[M]+ 216.05632 146.9
[M]- 216.05742 146.9
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