CID 900897

36298-61-0

Structural Information

Molecular Formula

C₁₆H₁₁NO₂

SMILES

C1=CC=C(C=C1)/C=C\2/C(=NOC2=O)C3=CC=CC=C3

InChI

InChI=1S/C16H11NO2/c18-16-14(11-12-7-3-1-4-8-12)15(17-19-16)13-9-5-2-6-10-13/h1-11H/b14-11-

InChIKey

DBPNBHOCUSFGKI-KAMYIIQDSA-N

Compound name

(4Z)-4-benzylidene-3-phenyl-1,2-oxazol-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 249.07898 Da
Monoisotopic Mass: 3.9
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]+	250.08626	155.9
[M+Na]+	272.06820	171.6
[M+NH4]+	267.11280	164.5
[M+K]+	288.04214	165.3
[M-H]-	248.07170	162.8
[M+Na-2H]-	270.05365	165.9
[M]+	249.07843	160.2
[M]-	249.07953	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe