CID 67017

117-32-8

Structural Information

Molecular Formula
C30H24N4O8S2
SMILES
CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=CC4=CC(=CC(=C43)S(=O)(=O)O)S(=O)(=O)O)O)C)N=NC5=CC=C(C=C5)O
InChI
InChI=1S/C30H24N4O8S2/c1-17-13-19(3-10-25(17)32-31-22-6-8-23(35)9-7-22)20-4-11-26(18(2)14-20)33-34-30-27(36)12-5-21-15-24(43(37,38)39)16-28(29(21)30)44(40,41)42/h3-16,35-36H,1-2H3,(H,37,38,39)(H,40,41,42)
InChIKey
PBPHWMOIKUMCRJ-UHFFFAOYSA-N
Compound name
7-hydroxy-8-[[4-[4-[(4-hydroxyphenyl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

632.1036 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.11088 241.7
[M+Na]+ 655.09282 253.5
[M+NH4]+ 650.13742 244.6
[M+K]+ 671.06676 244.8
[M-H]- 631.09632 248.8
[M+Na-2H]- 653.07827 251.6
[M]+ 632.10305 246.1
[M]- 632.10415 246.1
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.