CID 171950

67875-13-2

Structural Information

Molecular Formula
C23H18N4O5S
SMILES
C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N=NC3=C(C=CC4=CC(=CC(=C43)O)S(=O)(=O)O)N
InChI
InChI=1S/C23H18N4O5S/c24-19-11-6-15-12-18(33(30,31)32)13-20(28)21(15)22(19)27-26-17-9-7-16(8-10-17)25-23(29)14-4-2-1-3-5-14/h1-13,28H,24H2,(H,25,29)(H,30,31,32)
InChIKey
PUBONSYYXQVGDT-UHFFFAOYSA-N
Compound name
6-amino-5-[(4-benzamidophenyl)diazenyl]-4-hydroxynaphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.0998 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.10708 203.6
[M+Na]+ 485.08902 209.5
[M-H]- 461.09252 213.4
[M+NH4]+ 480.13362 211.0
[M+K]+ 501.06296 204.6
[M+H-H2O]+ 445.09706 193.3
[M+HCOO]- 507.09800 222.7
[M+CH3COO]- 521.11365 241.0
[M+Na-2H]- 483.07447 209.9
[M]+ 462.09925 205.2
[M]- 462.10035 205.2
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.