CID 137321931

2-amino-5-(2-(4-methylphenyl)-2-oxoethylidene)-4(5h)-oxazolone

Structural Information

Molecular Formula
C12H10N2O3
SMILES
CC1=CC=C(C=C1)C(=O)/C=C/2\C(=O)NC(=N)O2
InChI
InChI=1S/C12H10N2O3/c1-7-2-4-8(5-3-7)9(15)6-10-11(16)14-12(13)17-10/h2-6H,1H3,(H2,13,14,16)/b10-6+
InChIKey
ODYBUUUJZJNGPS-UXBLZVDNSA-N
Compound name
(5E)-2-imino-5-[2-(4-methylphenyl)-2-oxoethylidene]-1,3-oxazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.06914 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.07642 151.5
[M+Na]+ 253.05836 161.7
[M+NH4]+ 248.10296 157.2
[M+K]+ 269.03230 159.1
[M-H]- 229.06186 153.9
[M+Na-2H]- 251.04381 155.2
[M]+ 230.06859 153.1
[M]- 230.06969 153.1
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.