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

46
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 177.6
[M+Na]+ 354.12130 185.3
[M-H]- 330.12480 183.7
[M+NH4]+ 349.16590 186.0
[M+K]+ 370.09524 178.3
[M+H-H2O]+ 314.12934 161.0
[M+HCOO]- 376.13028 189.9
[M+CH3COO]- 390.14593 185.3
[M+Na-2H]- 352.10675 175.8
[M]+ 331.13153 168.3
[M]- 331.13263 168.3
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