CID 3021082

6428-26-8

Structural Information

Molecular Formula
C30H26N12O9S3
SMILES
C1=CC(=CC(=C1)S(=O)(=O)O)N=NC2=CC(=C(C=C2N)N)N=NC3=CC(=C(C=C3)S(=O)(=O)O)N=NC4=C(C=C(C(=C4)N=NC5=CC(=CC=C5)S(=O)(=O)O)N)N
InChI
InChI=1S/C30H26N12O9S3/c31-21-12-22(32)26(14-25(21)38-35-16-3-1-5-19(9-16)52(43,44)45)40-37-18-7-8-30(54(49,50)51)29(11-18)42-41-28-15-27(23(33)13-24(28)34)39-36-17-4-2-6-20(10-17)53(46,47)48/h1-15H,31-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)
InChIKey
LLUVTVMDWWOZPO-UHFFFAOYSA-N
Compound name
2,4-bis[[2,4-diamino-5-[(3-sulfophenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

794.1108 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 795.11808 257.3
[M+Na]+ 817.10002 264.4
[M+NH4]+ 812.14462 263.5
[M+K]+ 833.07396 258.0
[M-H]- 793.10352 257.6
[M+Na-2H]- 815.08547 282.9
[M]+ 794.11025 262.0
[M]- 794.11135 262.0
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.