CID 135422074

Indoblack gr

Structural Information

Molecular Formula
C34H29N13O7S2
SMILES
C1=CC(=CC=C1N=NC2=C(C=C(C=C2)N)N)N=NC3=C(C4=C(C(=C(C=C4C=C3S(=O)(=O)O)S(=O)(=O)O)N=NC5=CC=C(C=C5)N=NC6=C(C=C(C=C6)N)N)N)O
InChI
InChI=1S/C34H29N13O7S2/c35-18-1-11-26(24(37)15-18)44-40-20-3-7-22(8-4-20)42-46-32-28(55(49,50)51)13-17-14-29(56(52,53)54)33(34(48)30(17)31(32)39)47-43-23-9-5-21(6-10-23)41-45-27-12-2-19(36)16-25(27)38/h1-16,48H,35-39H2,(H,49,50,51)(H,52,53,54)
InChIKey
YILRCDLYJGTFTH-UHFFFAOYSA-N
Compound name
4-amino-3,6-bis[[4-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

3661
Patents

795.1754 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 796.18268 265.7
[M+Na]+ 818.16462 272.4
[M+NH4]+ 813.20922 272.2
[M+K]+ 834.13856 266.1
[M-H]- 794.16812 266.6
[M+Na-2H]- 816.15007 289.6
[M]+ 795.17485 270.8
[M]- 795.17595 270.8
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

patents stripe