CID 136192512

2-naphthalenesulfonic acid, 7,7'-iminobis(4-hydroxy-3-((2-methoxyphenyl)azo)-, disodium salt

Structural Information

Molecular Formula
C34H27N5O10S2
SMILES
COC1=CC=CC=C1N=NC2=C(C=C3C=C(C=CC3=C2O)NC4=CC5=CC(=C(C(=C5C=C4)O)N=NC6=CC=CC=C6OC)S(=O)(=O)O)S(=O)(=O)O
InChI
InChI=1S/C34H27N5O10S2/c1-48-27-9-5-3-7-25(27)36-38-31-29(50(42,43)44)17-19-15-21(11-13-23(19)33(31)40)35-22-12-14-24-20(16-22)18-30(51(45,46)47)32(34(24)41)39-37-26-8-4-6-10-28(26)49-2/h3-18,35,40-41H,1-2H3,(H,42,43,44)(H,45,46,47)
InChIKey
LWQMKZJTXMGKRD-UHFFFAOYSA-N
Compound name
4-hydroxy-7-[[5-hydroxy-6-[(2-methoxyphenyl)diazenyl]-7-sulfonaphthalen-2-yl]amino]-3-[(2-methoxyphenyl)diazenyl]naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

729.11993 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 730.12721 265.3
[M+Na]+ 752.10915 278.5
[M-H]- 728.11265 268.1
[M+NH4]+ 747.15375 271.7
[M+K]+ 768.08309 266.2
[M+H-H2O]+ 712.11719 249.7
[M+HCOO]- 774.11813 272.7
[M+CH3COO]- 788.13378 290.6
[M+Na-2H]- 750.09460 289.6
[M]+ 729.11938 305.2
[M]- 729.12048 305.2
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.