CID 607196

Cbdive_006085

Structural Information

Molecular Formula
C19H15N3O
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=CC3=CC=CC=C3O
InChI
InChI=1S/C19H15N3O/c23-19-9-5-4-6-15(19)14-20-16-10-12-18(13-11-16)22-21-17-7-2-1-3-8-17/h1-14,23H
InChIKey
JXHFGNGOTPNMRT-UHFFFAOYSA-N
Compound name
2-[(4-phenyldiazenylphenyl)iminomethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.12152 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.12880 168.9
[M+Na]+ 324.11074 175.5
[M-H]- 300.11424 181.2
[M+NH4]+ 319.15534 183.7
[M+K]+ 340.08468 170.7
[M+H-H2O]+ 284.11878 158.4
[M+HCOO]- 346.11972 199.5
[M+CH3COO]- 360.13537 214.3
[M+Na-2H]- 322.09619 177.5
[M]+ 301.12097 169.2
[M]- 301.12207 169.2
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

No patent data available for this compound.