CID 170791

49564-57-0

Structural Information

Molecular Formula
C9H14N2O3S
SMILES
CC1=CC(=C(C=C1S(=O)(=O)NC)OC)N
InChI
InChI=1S/C9H14N2O3S/c1-6-4-7(10)8(14-3)5-9(6)15(12,13)11-2/h4-5,11H,10H2,1-3H3
InChIKey
GWSQAGVGSHXRJK-UHFFFAOYSA-N
Compound name
4-amino-5-methoxy-N,2-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

89
Patents

230.07251 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.079786 147.4
[M+Na]+ 253.061728 156.2
[M-H]- 229.065234 151.3
[M+NH4]+ 248.106333 165.5
[M+K]+ 269.035668 153.3
[M+H-H2O]+ 213.069770 141.3
[M+HCOO]- 275.070711 167.1
[M+CH3COO]- 289.086361 192.9
[M+Na-2H]- 251.047176 150.9
[M]+ 230.07196142 150.2
[M]- 230.07305858 150.2
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