CID 900897

1088-32-0

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.08626 154.6
[M+Na]+ 272.06820 163.3
[M-H]- 248.07170 164.0
[M+NH4]+ 267.11280 170.5
[M+K]+ 288.04214 159.4
[M+H-H2O]+ 232.07624 146.3
[M+HCOO]- 294.07718 177.7
[M+CH3COO]- 308.09283 167.7
[M+Na-2H]- 270.05365 159.5
[M]+ 249.07843 154.4
[M]- 249.07953 154.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe