CID 9574427

P,p'-(terephthalylidenedihydrazo)dibenzene-sulfonic acid, disodium salt

Structural Information

Molecular Formula
C20H18N4O6S2
SMILES
C1=CC(=CC=C1/C=N/NC2=CC=C(C=C2)S(=O)(=O)O)/C=N/NC3=CC=C(C=C3)S(=O)(=O)O
InChI
InChI=1S/C20H18N4O6S2/c25-31(26,27)19-9-5-17(6-10-19)23-21-13-15-1-2-16(4-3-15)14-22-24-18-7-11-20(12-8-18)32(28,29)30/h1-14,23-24H,(H,25,26,27)(H,28,29,30)/b21-13+,22-14+
InChIKey
DUAKYZNSIPOGGG-JFMUQQRKSA-N
Compound name
4-[(2E)-2-[[4-[(E)-[(4-sulfophenyl)hydrazinylidene]methyl]phenyl]methylidene]hydrazinyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

474.06677 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.07405 205.6
[M+Na]+ 497.05599 210.2
[M-H]- 473.05949 213.6
[M+NH4]+ 492.10059 211.4
[M+K]+ 513.02993 203.2
[M+H-H2O]+ 457.06403 195.3
[M+HCOO]- 519.06497 221.0
[M+CH3COO]- 533.08062 236.0
[M+Na-2H]- 495.04144 213.9
[M]+ 474.06622 207.5
[M]- 474.06732 207.5
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

No patent data available for this compound.