CID 5355459

Nsc37134

Structural Information

Molecular Formula

C₁₅H₁₃NO

SMILES

C1=CC=C(C=C1)/C=C/C=NC2=CC=C(C=C2)O

InChI

InChI=1S/C15H13NO/c17-15-10-8-14(9-11-15)16-12-4-7-13-5-2-1-3-6-13/h1-12,17H/b7-4+,16-12?

InChIKey

VGRRMDJXZDBXNE-ZFCVXBDBSA-N

Compound name

4-[[(E)-3-phenylprop-2-enylidene]amino]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 223.09972 Da
Monoisotopic Mass: 3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	224.106996	149.5
[M+Na]+	246.088938	156.6
[M-H]-	222.092444	156.1
[M+NH4]+	241.133543	167.3
[M+K]+	262.062878	151.6
[M+H-H2O]+	206.096980	142.0
[M+HCOO]-	268.097921	175.3
[M+CH3COO]-	282.113571	190.1
[M+Na-2H]-	244.074386	156.8
[M]+	223.09917142	148.5
[M]-	223.10026858	148.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.