CID 22763728

3-amino-4-methoxy-n-methylbenzenesulfonamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

216.05687 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06415 143.2
[M+Na]+ 239.04609 151.6
[M-H]- 215.04959 146.9
[M+NH4]+ 234.09069 161.6
[M+K]+ 255.02003 148.8
[M+H-H2O]+ 199.05413 137.0
[M+HCOO]- 261.05507 163.3
[M+CH3COO]- 275.07072 188.6
[M+Na-2H]- 237.03154 147.8
[M]+ 216.05632 145.2
[M]- 216.05742 145.3
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