CID 135416872

40504-78-7

Structural Information

Molecular Formula
C13H12N2O2
SMILES
C#CCCN=C1NC(=O)C(O1)C2=CC=CC=C2
InChI
InChI=1S/C13H12N2O2/c1-2-3-9-14-13-15-12(16)11(17-13)10-7-5-4-6-8-10/h1,4-8,11H,3,9H2,(H,14,15,16)
InChIKey
LCZBRGYVUAMELH-UHFFFAOYSA-N
Compound name
2-but-3-ynylimino-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

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09715 151.0
[M+Na]+ 251.07909 160.4
[M-H]- 227.08259 154.1
[M+NH4]+ 246.12369 165.5
[M+K]+ 267.05303 155.3
[M+H-H2O]+ 211.08713 137.0
[M+HCOO]- 273.08807 167.3
[M+CH3COO]- 287.10372 196.7
[M+Na-2H]- 249.06454 153.8
[M]+ 228.08932 144.0
[M]- 228.09042 144.0
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.