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 167.8
[M+Na]+ 315.14678 172.7
[M-H]- 291.15028 177.8
[M+NH4]+ 310.19138 182.8
[M+K]+ 331.12072 168.7
[M+H-H2O]+ 275.15482 158.0
[M+HCOO]- 337.15576 187.3
[M+CH3COO]- 351.17141 178.6
[M+Na-2H]- 313.13223 171.6
[M]+ 292.15701 163.3
[M]- 292.15811 163.3
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.