CID 31786

Pdsp1_000675

Structural Information

Molecular Formula
C22H27NO2
SMILES
C[C@@]1(CCCCN1)[C@@]2(COC(O2)(C3=CC=CC=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C22H27NO2/c1-20(15-9-10-16-23-20)21(2)17-24-22(25-21,18-11-5-3-6-12-18)19-13-7-4-8-14-19/h3-8,11-14,23H,9-10,15-17H2,1-2H3/t20-,21+/m1/s1
InChIKey
LXSFMSNAFNZVIS-RTWAWAEBSA-N
Compound name
(2R)-2-methyl-2-[(4R)-4-methyl-2,2-diphenyl-1,3-dioxolan-4-yl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2042 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.211476 181.5
[M+Na]+ 360.193418 186.2
[M-H]- 336.196924 191.8
[M+NH4]+ 355.238023 196.7
[M+K]+ 376.167358 183.5
[M+H-H2O]+ 320.201460 171.7
[M+HCOO]- 382.202401 195.3
[M+CH3COO]- 396.218051 190.9
[M+Na-2H]- 358.178866 184.9
[M]+ 337.20365142 176.1
[M]- 337.20474858 176.1
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.