CID 113125

63216-83-1

Structural Information

Molecular Formula
C15H17N3O5S
SMILES
CC1=CC(=C(C=C1N=NC2=CC(=C(C=C2)OC)S(=O)(=O)O)OC)N
InChI
InChI=1S/C15H17N3O5S/c1-9-6-11(16)14(23-3)8-12(9)18-17-10-4-5-13(22-2)15(7-10)24(19,20)21/h4-8H,16H2,1-3H3,(H,19,20,21)
InChIKey
IEZSGDNUYFXTGX-UHFFFAOYSA-N
Compound name
5-[(4-amino-5-methoxy-2-methylphenyl)diazenyl]-2-methoxybenzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

351.0889 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.09618 179.8
[M+Na]+ 374.07812 190.2
[M+NH4]+ 369.12272 185.1
[M+K]+ 390.05206 184.0
[M-H]- 350.08162 183.3
[M+Na-2H]- 372.06357 185.9
[M]+ 351.08835 182.5
[M]- 351.08945 182.5
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