CID 135400200

32956-98-2

Structural Information

Molecular Formula
C18H14N2O2
SMILES
C#CCN=C1NC(=O)C(O1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H14N2O2/c1-2-13-19-17-20-16(21)18(22-17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h1,3-12H,13H2,(H,19,20,21)
InChIKey
KZLYASVJMXKZSJ-UHFFFAOYSA-N
Compound name
5,5-diphenyl-2-prop-2-ynylimino-1,3-oxazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.10553 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11281 169.9
[M+Na]+ 313.09475 182.8
[M+NH4]+ 308.13935 175.1
[M+K]+ 329.06869 172.0
[M-H]- 289.09825 167.7
[M+Na-2H]- 311.08020 175.8
[M]+ 290.10498 170.4
[M]- 290.10608 170.4
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.