CID 174359

Einecs 282-065-7

Structural Information

Molecular Formula
C18H15N3O
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)O
InChI
InChI=1S/C18H15N3O/c22-18-12-10-17(11-13-18)21-20-16-8-6-15(7-9-16)19-14-4-2-1-3-5-14/h1-13,19,22H
InChIKey
CTKXBMUNSDITJP-UHFFFAOYSA-N
Compound name
4-[(4-anilinophenyl)diazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

289.12152 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.12880 164.5
[M+Na]+ 312.11074 170.7
[M-H]- 288.11424 175.5
[M+NH4]+ 307.15534 179.1
[M+K]+ 328.08468 165.9
[M+H-H2O]+ 272.11878 154.5
[M+HCOO]- 334.11972 193.7
[M+CH3COO]- 348.13537 176.6
[M+Na-2H]- 310.09619 173.4
[M]+ 289.12097 163.5
[M]- 289.12207 163.5
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.