CID 3058485

(e)-(+-)-hexahydro-3-(phenethylimino)-1-phenyl-3h-oxazolo(3,4-a)pyridine hydrochloride

Structural Information

Molecular Formula
C21H24N2O
SMILES
C1CCN2[C@H](C1)[C@H](OC2=NCCC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H24N2O/c1-3-9-17(10-4-1)14-15-22-21-23-16-8-7-13-19(23)20(24-21)18-11-5-2-6-12-18/h1-6,9-12,19-20H,7-8,13-16H2/t19-,20-/m1/s1
InChIKey
YUJOPKVSISKFLQ-WOJBJXKFSA-N
Compound name
(1R,8aR)-1-phenyl-N-(2-phenylethyl)-1,5,6,7,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridin-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.18887 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.19615 179.5
[M+Na]+ 343.17809 193.1
[M+NH4]+ 338.22269 189.0
[M+K]+ 359.15203 185.3
[M-H]- 319.18159 188.3
[M+Na-2H]- 341.16354 187.6
[M]+ 320.18832 184.0
[M]- 320.18942 184.0
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.