CID 3058483

(+-)-trans-3-benzylimino-1-phenylhexahydro-3h-oxazolo(3,4-a)pyridine hydrochloride

Structural Information

Molecular Formula
C20H22N2O
SMILES
C1CCN2[C@H](C1)[C@H](OC2=NCC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C20H22N2O/c1-3-9-16(10-4-1)15-21-20-22-14-8-7-13-18(22)19(23-20)17-11-5-2-6-12-17/h1-6,9-12,18-19H,7-8,13-15H2/t18-,19-/m1/s1
InChIKey
HJBVNHOTJNTQJG-RTBURBONSA-N
Compound name
(1R,8aR)-N-benzyl-1-phenyl-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

306.17322 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.18050 175.0
[M+Na]+ 329.16244 188.8
[M+NH4]+ 324.20704 184.7
[M+K]+ 345.13638 181.2
[M-H]- 305.16594 183.8
[M+Na-2H]- 327.14789 183.4
[M]+ 306.17267 179.5
[M]- 306.17377 179.5
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

No patent data available for this compound.