CID 20831510

4-(4-bromobenzylidene)-2-(4-methylphenyl)-1,3-oxazol-5(4h)-one

Structural Information

Molecular Formula
C17H12BrNO2
SMILES
CC1=CC=C(C=C1)C2=N/C(=C/C3=CC=C(C=C3)Br)/C(=O)O2
InChI
InChI=1S/C17H12BrNO2/c1-11-2-6-13(7-3-11)16-19-15(17(20)21-16)10-12-4-8-14(18)9-5-12/h2-10H,1H3/b15-10+
InChIKey
JKPXXCVTQGXPDI-XNTDXEJSSA-N
Compound name
(4E)-4-[(4-bromophenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.00513 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.01241 171.9
[M+Na]+ 363.99435 184.4
[M-H]- 339.99785 183.9
[M+NH4]+ 359.03895 188.6
[M+K]+ 379.96829 172.9
[M+H-H2O]+ 324.00239 170.6
[M+HCOO]- 386.00333 192.2
[M+CH3COO]- 400.01898 186.1
[M+Na-2H]- 361.97980 175.6
[M]+ 341.00458 191.5
[M]- 341.00568 191.5
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.