CID 135400193

32956-97-1

Structural Information

Molecular Formula
C13H12N2O2
SMILES
CC1(C(=O)NC(=NCC#C)O1)C2=CC=CC=C2
InChI
InChI=1S/C13H12N2O2/c1-3-9-14-12-15-11(16)13(2,17-12)10-7-5-4-6-8-10/h1,4-8H,9H2,2H3,(H,14,15,16)
InChIKey
NCQYYDFBEVBHEA-UHFFFAOYSA-N
Compound name
5-methyl-5-phenyl-2-prop-2-ynylimino-1,3-oxazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.08987 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09715 151.6
[M+Na]+ 251.07909 162.8
[M+NH4]+ 246.12369 156.5
[M+K]+ 267.05303 153.7
[M-H]- 227.08259 147.0
[M+Na-2H]- 249.06454 155.4
[M]+ 228.08932 151.1
[M]- 228.09042 151.1
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.