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]+ 250.08626 155.0
[M+Na]+ 272.06820 162.3
[M-H]- 248.07170 164.1
[M+NH4]+ 267.11280 170.4
[M+K]+ 288.04214 158.9
[M+H-H2O]+ 232.07624 146.5
[M+HCOO]- 294.07718 177.0
[M+CH3COO]- 308.09283 167.5
[M+Na-2H]- 270.05365 159.4
[M]+ 249.07843 153.7
[M]- 249.07953 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.