CID 492875

(2s,7s,7as,6r)-2,7-diphenyl-6-[(4-phenylpiperidyl)methyl]perhydro-3-oxapyrrolizine

Structural Information

Molecular Formula
C30H34N2O
SMILES
C1CN(CCC1C2=CC=CC=C2)CC3CN4[C@H]([C@@H]3C5=CC=CC=C5)C[C@H](O4)C6=CC=CC=C6
InChI
InChI=1S/C30H34N2O/c1-4-10-23(11-5-1)24-16-18-31(19-17-24)21-27-22-32-28(30(27)26-14-8-3-9-15-26)20-29(33-32)25-12-6-2-7-13-25/h1-15,24,27-30H,16-22H2/t27?,28-,29-,30+/m0/s1
InChIKey
ZQOGOOYTWRIHLO-YAINKXIASA-N
Compound name
(2S,3aS,4S)-2,4-diphenyl-5-[(4-phenylpiperidin-1-yl)methyl]-2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

438.26712 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.27440 208.5
[M+Na]+ 461.25634 210.4
[M-H]- 437.25984 220.9
[M+NH4]+ 456.30094 216.5
[M+K]+ 477.23028 203.5
[M+H-H2O]+ 421.26438 196.1
[M+HCOO]- 483.26532 220.2
[M+CH3COO]- 497.28097 214.9
[M+Na-2H]- 459.24179 202.1
[M]+ 438.26657 201.0
[M]- 438.26767 201.0
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.