CID 135400194

32956-99-3

Structural Information

Molecular Formula
C13H12N2O2
SMILES
CC(C#C)N=C1NC(=O)C(O1)C2=CC=CC=C2
InChI
InChI=1S/C13H12N2O2/c1-3-9(2)14-13-15-12(16)11(17-13)10-7-5-4-6-8-10/h1,4-9,11H,2H3,(H,14,15,16)
InChIKey
MNYBXLSKZKACJU-UHFFFAOYSA-N
Compound name
2-but-3-yn-2-ylimino-5-phenyl-1,3-oxazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.08987 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09715 152.5
[M+Na]+ 251.07909 161.6
[M-H]- 227.08259 155.7
[M+NH4]+ 246.12369 166.9
[M+K]+ 267.05303 157.0
[M+H-H2O]+ 211.08713 138.6
[M+HCOO]- 273.08807 167.9
[M+CH3COO]- 287.10372 197.5
[M+Na-2H]- 249.06454 154.1
[M]+ 228.08932 144.9
[M]- 228.09042 144.9
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.