CID 89067

Einecs 244-589-4

Structural Information

Molecular Formula
C18H14N4O2
SMILES
C1=CC(=CC=C1N=NC2=CC=C(C=C2)O)N=NC3=CC=C(C=C3)O
InChI
InChI=1S/C18H14N4O2/c23-17-9-5-15(6-10-17)21-19-13-1-2-14(4-3-13)20-22-16-7-11-18(24)12-8-16/h1-12,23-24H
InChIKey
AOCDFLRLNPGEIC-UHFFFAOYSA-N
Compound name
4-[[4-[(4-hydroxyphenyl)diazenyl]phenyl]diazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

318.11166 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.11894 170.8
[M+Na]+ 341.10088 177.6
[M-H]- 317.10438 183.6
[M+NH4]+ 336.14548 184.7
[M+K]+ 357.07482 174.0
[M+H-H2O]+ 301.10892 160.0
[M+HCOO]- 363.10986 202.8
[M+CH3COO]- 377.12551 219.8
[M+Na-2H]- 339.08633 179.8
[M]+ 318.11111 171.9
[M]- 318.11221 171.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe