CID 96827

54179-10-1

Structural Information

Molecular Formula
C8H12N2O4S
SMILES
COC1=CC(=C(C=C1N)OC)S(=O)(=O)N
InChI
InChI=1S/C8H12N2O4S/c1-13-6-4-8(15(10,11)12)7(14-2)3-5(6)9/h3-4H,9H2,1-2H3,(H2,10,11,12)
InChIKey
XUEVFQRBADJXLR-UHFFFAOYSA-N
Compound name
4-amino-2,5-dimethoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

29
Patents

232.05177 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.05905 146.3
[M+Na]+ 255.04099 155.3
[M-H]- 231.04449 149.8
[M+NH4]+ 250.08559 163.9
[M+K]+ 271.01493 152.8
[M+H-H2O]+ 215.04903 140.1
[M+HCOO]- 277.04997 165.9
[M+CH3COO]- 291.06562 191.6
[M+Na-2H]- 253.02644 149.4
[M]+ 232.05122 149.2
[M]- 232.05232 149.2
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