CID 5936967

Nsc700134

Structural Information

Molecular Formula
C16H11NO2
SMILES
C1=CC=C(C=C1)/C=C\2/C(=O)N=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C16H11NO2/c18-15-14(11-12-7-3-1-4-8-12)19-16(17-15)13-9-5-2-6-10-13/h1-11H/b14-11-
InChIKey
VZOZDTBBGBQEOS-KAMYIIQDSA-N
Compound name
(5Z)-5-benzylidene-2-phenyl-1,3-oxazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.07898 Da
Monoisotopic Mass

3.6
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.