CID 1550410

5(4h)-oxazolone, 4-[(4-methoxyphenyl)methylene]-2-methyl-

Structural Information

Molecular Formula
C12H11NO3
SMILES
CC1=N/C(=C/C2=CC=C(C=C2)OC)/C(=O)O1
InChI
InChI=1S/C12H11NO3/c1-8-13-11(12(14)16-8)7-9-3-5-10(15-2)6-4-9/h3-7H,1-2H3/b11-7+
InChIKey
NRQHBNNTBIDSRK-YRNVUSSQSA-N
Compound name
(4E)-4-[(4-methoxyphenyl)methylidene]-2-methyl-1,3-oxazol-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1074
Patents

217.0739 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 144.7
[M+Na]+ 240.06312 154.6
[M-H]- 216.06662 151.5
[M+NH4]+ 235.10772 162.8
[M+K]+ 256.03706 152.8
[M+H-H2O]+ 200.07116 138.0
[M+HCOO]- 262.07210 168.0
[M+CH3COO]- 276.08775 186.1
[M+Na-2H]- 238.04857 149.2
[M]+ 217.07335 147.6
[M]- 217.07445 147.6
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