CID 16076227

Schembl5805203

Structural Information

Molecular Formula
C27H29ClN2O
SMILES
C1C[C@@H](CN(C1)CCC2=CC=C(C=C2)Cl)C(C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)N
InChI
InChI=1S/C27H29ClN2O/c28-25-15-13-21(14-16-25)17-19-30-18-7-12-24(20-30)27(26(29)31,22-8-3-1-4-9-22)23-10-5-2-6-11-23/h1-6,8-11,13-16,24H,7,12,17-20H2,(H2,29,31)/t24-/m0/s1
InChIKey
QJUVMTZBMIBGOA-DEOSSOPVSA-N
Compound name
2-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-2,2-diphenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

432.19684 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.20412 207.3
[M+Na]+ 455.18606 209.5
[M-H]- 431.18956 215.6
[M+NH4]+ 450.23066 214.1
[M+K]+ 471.16000 201.1
[M+H-H2O]+ 415.19410 195.5
[M+HCOO]- 477.19504 217.4
[M+CH3COO]- 491.21069 213.4
[M+Na-2H]- 453.17151 207.4
[M]+ 432.19629 202.7
[M]- 432.19739 202.7
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

patents stripe