CID 178244216

2-(4-amino-n-hydroxy-2-methylanilino)benzenesulfonic acid

Structural Information

Molecular Formula
C13H14N2O4S
SMILES
CC1=C(C=CC(=C1)N)N(C2=CC=CC=C2S(=O)(=O)O)O
InChI
InChI=1S/C13H14N2O4S/c1-9-8-10(14)6-7-11(9)15(16)12-4-2-3-5-13(12)20(17,18)19/h2-8,16H,14H2,1H3,(H,17,18,19)
InChIKey
LTJTXCJWBZTGCP-UHFFFAOYSA-N
Compound name
2-(4-amino-N-hydroxy-2-methylanilino)benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.0674 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.074676 162.9
[M+Na]+ 317.056618 170.4
[M-H]- 293.060124 168.4
[M+NH4]+ 312.101223 177.0
[M+K]+ 333.030558 166.5
[M+H-H2O]+ 277.064660 155.6
[M+HCOO]- 339.065601 180.6
[M+CH3COO]- 353.081251 201.7
[M+Na-2H]- 315.042066 166.1
[M]+ 294.06685142 163.8
[M]- 294.06794858 163.8
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

No patent data available for this compound.