CID 656768

191217-42-2

Structural Information

Molecular Formula
C29H35NO2
SMILES
COC1=CC=C(C=C1)CCCN2CCC(CC2)COC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C29H35NO2/c1-31-28-16-14-24(15-17-28)9-8-20-30-21-18-25(19-22-30)23-32-29(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-7,10-17,25,29H,8-9,18-23H2,1H3
InChIKey
WRTXEGOLODUQIE-UHFFFAOYSA-N
Compound name
4-(benzhydryloxymethyl)-1-[3-(4-methoxyphenyl)propyl]piperidine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

30
Patents

429.26678 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.27406 210.1
[M+Na]+ 452.25600 210.4
[M-H]- 428.25950 218.4
[M+NH4]+ 447.30060 216.4
[M+K]+ 468.22994 204.0
[M+H-H2O]+ 412.26404 196.6
[M+HCOO]- 474.26498 225.0
[M+CH3COO]- 488.28063 215.9
[M+Na-2H]- 450.24145 208.9
[M]+ 429.26623 207.2
[M]- 429.26733 207.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe