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

38
Patents

331.13208 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.139356 177.6
[M+Na]+ 354.121298 185.3
[M-H]- 330.124804 183.7
[M+NH4]+ 349.165903 186.0
[M+K]+ 370.095238 178.3
[M+H-H2O]+ 314.129340 161.0
[M+HCOO]- 376.130281 189.9
[M+CH3COO]- 390.145931 185.3
[M+Na-2H]- 352.106746 175.8
[M]+ 331.13153142 168.3
[M]- 331.13262858 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