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]+ 318.123696 172.4
[M+Na]+ 340.105638 179.3
[M-H]- 316.109144 183.7
[M+NH4]+ 335.150243 186.1
[M+K]+ 356.079578 174.5
[M+H-H2O]+ 300.113680 162.1
[M+HCOO]- 362.114621 201.6
[M+CH3COO]- 376.130271 215.3
[M+Na-2H]- 338.091086 179.9
[M]+ 317.11587142 172.7
[M]- 317.11696858 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