CID 172949

72017-89-1

Structural Information

Molecular Formula
C32H24N8O14S4
SMILES
C1=CC(=CC=C1N=NC2=CC=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)O)S(=O)(=O)O)N)O)N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)N)O
InChI
InChI=1S/C32H24N8O14S4/c33-23-13-21(55(43,44)45)9-15-11-25(57(49,50)51)29(31(41)27(15)23)39-37-19-5-1-17(2-6-19)35-36-18-3-7-20(8-4-18)38-40-30-26(58(52,53)54)12-16-10-22(56(46,47)48)14-24(34)28(16)32(30)42/h1-14,41-42H,33-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)
InChIKey
AIWLMUMQMQFXTM-UHFFFAOYSA-N
Compound name
5-amino-3-[[4-[[4-[(8-amino-1-hydroxy-3,6-disulfonaphthalen-2-yl)diazenyl]phenyl]diazenyl]phenyl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

872.0295 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 873.03678 256.8
[M+Na]+ 895.01872 264.7
[M+NH4]+ 890.06332 262.6
[M+K]+ 910.99266 261.7
[M-H]- 871.02222 257.5
[M+Na-2H]- 893.00417 284.1
[M]+ 872.02895 261.1
[M]- 872.03005 261.1
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.