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 171.0
[M+Na]+ 313.09475 181.2
[M-H]- 289.09825 176.5
[M+NH4]+ 308.13935 184.5
[M+K]+ 329.06869 173.0
[M+H-H2O]+ 273.10279 155.9
[M+HCOO]- 335.10373 186.9
[M+CH3COO]- 349.11938 180.4
[M+Na-2H]- 311.08020 173.7
[M]+ 290.10498 163.4
[M]- 290.10608 163.4
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.