CID 6474153

Nsc636402

Structural Information

Molecular Formula
C17H13NO2
SMILES
CC1=N/C(=C/C2=CC=C(C=C2)C3=CC=CC=C3)/C(=O)O1
InChI
InChI=1S/C17H13NO2/c1-12-18-16(17(19)20-12)11-13-7-9-15(10-8-13)14-5-3-2-4-6-14/h2-11H,1H3/b16-11+
InChIKey
FWGUGWIRBPDVNC-LFIBNONCSA-N
Compound name
(4E)-2-methyl-4-[(4-phenylphenyl)methylidene]-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.09464 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.101916 159.2
[M+Na]+ 286.083858 168.4
[M-H]- 262.087364 168.9
[M+NH4]+ 281.128463 174.9
[M+K]+ 302.057798 164.2
[M+H-H2O]+ 246.091900 151.0
[M+HCOO]- 308.092841 182.0
[M+CH3COO]- 322.108491 172.3
[M+Na-2H]- 284.069306 162.9
[M]+ 263.09409142 159.8
[M]- 263.09518858 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.