CID 105654

Einecs 267-171-3

Structural Information

Molecular Formula
C30H24N6O2
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC(=C(C=C3O)O)N=NC4=CC=C(C=C4)NC5=CC=CC=C5
InChI
InChI=1S/C30H24N6O2/c37-29-20-30(38)28(36-34-26-17-13-24(14-18-26)32-22-9-5-2-6-10-22)19-27(29)35-33-25-15-11-23(12-16-25)31-21-7-3-1-4-8-21/h1-20,31-32,37-38H
InChIKey
KHRLXDLDLKBFRP-UHFFFAOYSA-N
Compound name
4,6-bis[(4-anilinophenyl)diazenyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.19608 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.20336 215.2
[M+Na]+ 523.18530 218.8
[M-H]- 499.18880 232.2
[M+NH4]+ 518.22990 219.8
[M+K]+ 539.15924 213.1
[M+H-H2O]+ 483.19334 200.4
[M+HCOO]- 545.19428 246.1
[M+CH3COO]- 559.20993 223.1
[M+Na-2H]- 521.17075 223.4
[M]+ 500.19553 214.3
[M]- 500.19663 214.3
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.