CID 490563

5(2h)-oxazolone, 2-(diphenylmethylene)-

Structural Information

Molecular Formula
C16H11NO2
SMILES
C1=CC=C(C=C1)C(=C2N=CC(=O)O2)C3=CC=CC=C3
InChI
InChI=1S/C16H11NO2/c18-14-11-17-16(19-14)15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-11H
InChIKey
QQFMWWAWMOUNAD-UHFFFAOYSA-N
Compound name
2-benzhydrylidene-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.07898 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.086256 155.0
[M+Na]+ 272.068198 162.3
[M-H]- 248.071704 164.1
[M+NH4]+ 267.112803 170.4
[M+K]+ 288.042138 158.9
[M+H-H2O]+ 232.076240 146.5
[M+HCOO]- 294.077181 177.0
[M+CH3COO]- 308.092831 167.5
[M+Na-2H]- 270.053646 159.4
[M]+ 249.07843142 153.7
[M]- 249.07952858 153.7
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

No patent data available for this compound.