CID 459061

3-[alpha-(p-hydroxyphenyl)-p-tolylazo]naphthionic acid, sodium salt

Structural Information

Molecular Formula
C23H19N3O4S
SMILES
C1=CC=C2C(=C1)C(=CC(=C2N)N=NC3=CC=C(C=C3)CC4=CC=C(C=C4)O)S(=O)(=O)O
InChI
InChI=1S/C23H19N3O4S/c24-23-20-4-2-1-3-19(20)22(31(28,29)30)14-21(23)26-25-17-9-5-15(6-10-17)13-16-7-11-18(27)12-8-16/h1-12,14,27H,13,24H2,(H,28,29,30)
InChIKey
AFYHQIFHRBGGMQ-UHFFFAOYSA-N
Compound name
4-amino-3-[[4-[(4-hydroxyphenyl)methyl]phenyl]diazenyl]naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.10962 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.11690 199.7
[M+Na]+ 456.09884 207.1
[M-H]- 432.10234 209.8
[M+NH4]+ 451.14344 209.1
[M+K]+ 472.07278 201.0
[M+H-H2O]+ 416.10688 189.7
[M+HCOO]- 478.10782 218.7
[M+CH3COO]- 492.12347 233.4
[M+Na-2H]- 454.08429 205.6
[M]+ 433.10907 202.0
[M]- 433.11017 202.0
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.