CID 457829

Chembl93887

Structural Information

Molecular Formula
C28H32N2
SMILES
C1CN(CCC1C2=CC=CC=C2)C[C@H]3CN(C[C@@H]3C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H32N2/c1-4-10-23(11-5-1)24-16-18-29(19-17-24)20-26-21-30(27-14-8-3-9-15-27)22-28(26)25-12-6-2-7-13-25/h1-15,24,26,28H,16-22H2/t26-,28+/m0/s1
InChIKey
WVTOOOITCXRASM-XTEPFMGCSA-N
Compound name
1-[[(3S,4S)-1,4-diphenylpyrrolidin-3-yl]methyl]-4-phenylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

396.25656 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.26384 200.6
[M+Na]+ 419.24578 202.2
[M-H]- 395.24928 211.0
[M+NH4]+ 414.29038 208.7
[M+K]+ 435.21972 193.8
[M+H-H2O]+ 379.25382 186.8
[M+HCOO]- 441.25476 214.5
[M+CH3COO]- 455.27041 207.1
[M+Na-2H]- 417.23123 197.3
[M]+ 396.25601 191.7
[M]- 396.25711 191.7
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

No patent data available for this compound.