CID 3058487

(+-)-trans-1-phenyl-3-phenyliminohexahydro-3h-oxazolo(3,4-a)pyridine hydrochloride

Structural Information

Molecular Formula
C19H20N2O
SMILES
C1CCN2[C@H](C1)[C@H](OC2=NC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C19H20N2O/c1-3-9-15(10-4-1)18-17-13-7-8-14-21(17)19(22-18)20-16-11-5-2-6-12-16/h1-6,9-12,17-18H,7-8,13-14H2/t17-,18-/m1/s1
InChIKey
SVWHQILSACTTAT-QZTJIDSGSA-N
Compound name
(1R,8aR)-N,1-diphenyl-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

292.15756 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.16484 170.4
[M+Na]+ 315.14678 184.4
[M+NH4]+ 310.19138 180.3
[M+K]+ 331.12072 177.1
[M-H]- 291.15028 179.2
[M+Na-2H]- 313.13223 179.1
[M]+ 292.15701 175.0
[M]- 292.15811 175.0
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.