CID 225481

4-isopropylidene-2-phenyl-5(4h)-oxazole

Structural Information

Molecular Formula
C12H11NO2
SMILES
CC(=C1C(=O)OC(=N1)C2=CC=CC=C2)C
InChI
InChI=1S/C12H11NO2/c1-8(2)10-12(14)15-11(13-10)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKey
FSYXZIPYOMWJOP-UHFFFAOYSA-N
Compound name
2-phenyl-4-propan-2-ylidene-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4
Patents

201.07898 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.086256 142.3
[M+Na]+ 224.068198 151.1
[M-H]- 200.071704 148.9
[M+NH4]+ 219.112803 160.8
[M+K]+ 240.042138 149.3
[M+H-H2O]+ 184.076240 135.6
[M+HCOO]- 246.077181 164.4
[M+CH3COO]- 260.092831 183.7
[M+Na-2H]- 222.053646 146.2
[M]+ 201.07843142 142.8
[M]- 201.07952858 142.8
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