CID 711184

(z)-4-(2-methylbenzylidene)-2-phenyloxazol-5(4h)-one

Structural Information

Molecular Formula
C17H13NO2
SMILES
CC1=CC=CC=C1/C=C\2/C(=O)OC(=N2)C3=CC=CC=C3
InChI
InChI=1S/C17H13NO2/c1-12-7-5-6-10-14(12)11-15-17(19)20-16(18-15)13-8-3-2-4-9-13/h2-11H,1H3/b15-11-
InChIKey
LSSKZOFFVGLOOQ-PTNGSMBKSA-N
Compound name
(4Z)-4-[(2-methylphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.09464 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10192 159.2
[M+Na]+ 286.08386 168.4
[M-H]- 262.08736 168.9
[M+NH4]+ 281.12846 174.9
[M+K]+ 302.05780 164.2
[M+H-H2O]+ 246.09190 151.0
[M+HCOO]- 308.09284 182.0
[M+CH3COO]- 322.10849 172.3
[M+Na-2H]- 284.06931 162.9
[M]+ 263.09409 159.8
[M]- 263.09519 159.8
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.