CID 74934512

Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(3-hydroxypropoxy)phenyl)azo)-, disodium salt

Structural Information

Molecular Formula
C32H32N4O10S2
SMILES
C1=CC(=CC=C1N=NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)N=NC4=CC=C(C=C4)OCCCO)S(=O)(=O)O)S(=O)(=O)O)OCCCO
InChI
InChI=1S/C32H32N4O10S2/c37-17-1-19-45-29-13-9-25(10-14-29)33-35-27-7-5-23(31(21-27)47(39,40)41)3-4-24-6-8-28(22-32(24)48(42,43)44)36-34-26-11-15-30(16-12-26)46-20-2-18-38/h3-16,21-22,37-38H,1-2,17-20H2,(H,39,40,41)(H,42,43,44)
InChIKey
RMUHBIQEDUYPRS-UHFFFAOYSA-N
Compound name
5-[[4-(3-hydroxypropoxy)phenyl]diazenyl]-2-[2-[4-[[4-(3-hydroxypropoxy)phenyl]diazenyl]-2-sulfophenyl]ethenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

696.156 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 697.16328 254.1
[M+Na]+ 719.14522 261.6
[M+NH4]+ 714.18982 254.1
[M+K]+ 735.11916 253.9
[M-H]- 695.14872 258.6
[M+Na-2H]- 717.13067 262.2
[M]+ 696.15545 256.8
[M]- 696.15655 256.8
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.