CID 3066237

M.g. 16260

Structural Information

Molecular Formula
C32H37ClN2O2
SMILES
C1CC(N(C(=O)C1)CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=C(C=C4)Cl)O)C5=CC=CC=C5
InChI
InChI=1S/C32H37ClN2O2/c33-29-17-15-27(16-18-29)32(37,26-11-5-2-6-12-26)28-19-23-34(24-20-28)21-8-22-35-30(13-7-14-31(35)36)25-9-3-1-4-10-25/h1-6,9-12,15-18,28,30,37H,7-8,13-14,19-24H2
InChIKey
CWIDBGJLCSSCAR-UHFFFAOYSA-N
Compound name
1-[3-[4-[(4-chlorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]propyl]-6-phenylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.25433 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.26161 230.4
[M+Na]+ 539.24355 230.6
[M-H]- 515.24705 238.3
[M+NH4]+ 534.28815 231.7
[M+K]+ 555.21749 221.3
[M+H-H2O]+ 499.25159 215.6
[M+HCOO]- 561.25253 233.3
[M+CH3COO]- 575.26818 233.3
[M+Na-2H]- 537.22900 226.9
[M]+ 516.25378 223.2
[M]- 516.25488 223.2
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.