CID 105654

67801-52-9

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 228.1
[M+Na]+ 523.18530 243.4
[M+NH4]+ 518.22990 235.0
[M+K]+ 539.15924 231.9
[M-H]- 499.18880 242.7
[M+Na-2H]- 521.17075 243.4
[M]+ 500.19553 234.4
[M]- 500.19663 234.4
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.