CID 137321930

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

Structural Information

Molecular Formula
C11H7ClN2O3
SMILES
C1=CC(=CC=C1C(=O)/C=C/2\C(=O)NC(=N)O2)Cl
InChI
InChI=1S/C11H7ClN2O3/c12-7-3-1-6(2-4-7)8(15)5-9-10(16)14-11(13)17-9/h1-5H,(H2,13,14,16)/b9-5+
InChIKey
MVPAYMPFLYMNCD-WEVVVXLNSA-N
Compound name
(5E)-5-[2-(4-chlorophenyl)-2-oxoethylidene]-2-imino-1,3-oxazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.01453 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.02181 153.5
[M+Na]+ 273.00375 162.2
[M-H]- 249.00725 158.5
[M+NH4]+ 268.04835 169.5
[M+K]+ 288.97769 157.3
[M+H-H2O]+ 233.01179 147.3
[M+HCOO]- 295.01273 169.7
[M+CH3COO]- 309.02838 189.2
[M+Na-2H]- 270.98920 155.4
[M]+ 250.01398 151.9
[M]- 250.01508 151.9
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.