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
3
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]+ 290.128796 164.5
[M+Na]+ 312.110738 170.7
[M-H]- 288.114244 175.5
[M+NH4]+ 307.155343 179.1
[M+K]+ 328.084678 165.9
[M+H-H2O]+ 272.118780 154.5
[M+HCOO]- 334.119721 193.7
[M+CH3COO]- 348.135371 176.6
[M+Na-2H]- 310.096186 173.4
[M]+ 289.12097142 163.5
[M]- 289.12206858 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.