CID 459054

4-({[4-(phenyldiazenyl)phenyl]imino}methyl)-1,3-benzenediol

Structural Information

Molecular Formula
C19H15N3O2
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N=CC3=C(C=C(C=C3)O)O
InChI
InChI=1S/C19H15N3O2/c23-18-11-6-14(19(24)12-18)13-20-15-7-9-17(10-8-15)22-21-16-4-2-1-3-5-16/h1-13,23-24H
InChIKey
FGWAFVXSDJQNPJ-UHFFFAOYSA-N
Compound name
4-[(4-phenyldiazenylphenyl)iminomethyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

317.11642 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.12370 172.4
[M+Na]+ 340.10564 179.3
[M-H]- 316.10914 183.7
[M+NH4]+ 335.15024 186.1
[M+K]+ 356.07958 174.5
[M+H-H2O]+ 300.11368 162.1
[M+HCOO]- 362.11462 201.6
[M+CH3COO]- 376.13027 215.3
[M+Na-2H]- 338.09109 179.9
[M]+ 317.11587 172.7
[M]- 317.11697 172.7
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

patents stripe