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 172.4
[M+Na]+ 329.16244 176.8
[M-H]- 305.16594 182.1
[M+NH4]+ 324.20704 186.8
[M+K]+ 345.13638 172.5
[M+H-H2O]+ 289.17048 162.3
[M+HCOO]- 351.17142 191.5
[M+CH3COO]- 365.18707 182.7
[M+Na-2H]- 327.14789 175.6
[M]+ 306.17267 168.2
[M]- 306.17377 168.2
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.