CID 135400196

Brn 1127723

Structural Information

Molecular Formula
C15H16N2O2
SMILES
CCC(C)(C#C)N=C1NC(=O)C(O1)C2=CC=CC=C2
InChI
InChI=1S/C15H16N2O2/c1-4-15(3,5-2)17-14-16-13(18)12(19-14)11-9-7-6-8-10-11/h1,6-10,12H,5H2,2-3H3,(H,16,17,18)
InChIKey
ZPWUDIFHKJGJFY-UHFFFAOYSA-N
Compound name
2-(3-methylpent-1-yn-3-ylimino)-5-phenyl-1,3-oxazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.1212 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.12848 161.8
[M+Na]+ 279.11042 172.0
[M+NH4]+ 274.15502 164.8
[M+K]+ 295.08436 165.0
[M-H]- 255.11392 156.6
[M+Na-2H]- 277.09587 163.5
[M]+ 256.12065 160.8
[M]- 256.12175 160.8
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.