CID 3025360

1-cyclohexyl-3-(diphenylmethoxy)pyrrolidine

Structural Information

Molecular Formula

C₂₃H₂₉NO

SMILES

C1CCC(CC1)N2CCC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H29NO/c1-4-10-19(11-5-1)23(20-12-6-2-7-13-20)25-22-16-17-24(18-22)21-14-8-3-9-15-21/h1-2,4-7,10-13,21-23H,3,8-9,14-18H2

InChIKey

ZQIZVEYSJWUOGI-UHFFFAOYSA-N

Compound name

3-benzhydryloxy-1-cyclohexylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 335.2249 Da
Monoisotopic Mass: 5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	336.232176	183.4
[M+Na]+	358.214118	183.8
[M-H]-	334.217624	192.3
[M+NH4]+	353.258723	195.5
[M+K]+	374.188058	178.5
[M+H-H2O]+	318.222160	172.3
[M+HCOO]-	380.223101	198.7
[M+CH3COO]-	394.238751	191.2
[M+Na-2H]-	356.199566	181.3
[M]+	335.22435142	175.3
[M]-	335.22544858	175.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe