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]+ 231.076416 150.0
[M+Na]+ 253.058358 157.7
[M-H]- 229.061864 155.1
[M+NH4]+ 248.102963 166.0
[M+K]+ 269.032298 154.4
[M+H-H2O]+ 213.066400 143.2
[M+HCOO]- 275.067341 170.7
[M+CH3COO]- 289.082991 188.5
[M+Na-2H]- 251.043806 152.2
[M]+ 230.06859142 146.8
[M]- 230.06968858 146.8
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.