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 176.9
[M+Na]+ 343.17809 180.8
[M-H]- 319.18159 186.4
[M+NH4]+ 338.22269 190.7
[M+K]+ 359.15203 176.3
[M+H-H2O]+ 303.18613 166.6
[M+HCOO]- 365.18707 195.7
[M+CH3COO]- 379.20272 186.7
[M+Na-2H]- 341.16354 179.6
[M]+ 320.18832 173.0
[M]- 320.18942 173.0
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.