CID 3607725

150639-33-1

Structural Information

Molecular Formula
C20H17N3O2
SMILES
C1C(NC(=C(C#N)C2=NC(CO2)C3=CC=CC=C3)O1)C4=CC=CC=C4
InChI
InChI=1S/C20H17N3O2/c21-11-16(19-22-17(12-24-19)14-7-3-1-4-8-14)20-23-18(13-25-20)15-9-5-2-6-10-15/h1-10,17-18,22H,12-13H2
InChIKey
QVVGSAYHUSBCQV-UHFFFAOYSA-N
Compound name
2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)-2-(4-phenyl-1,3-oxazolidin-2-ylidene)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

331.13208 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.13936 182.7
[M+Na]+ 354.12130 194.9
[M+NH4]+ 349.16590 186.3
[M+K]+ 370.09524 188.3
[M-H]- 330.12480 182.4
[M+Na-2H]- 352.10675 186.7
[M]+ 331.13153 183.5
[M]- 331.13263 183.5
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

patents stripe