CID 15831905

Ukcp-110

Structural Information

Molecular Formula
C20H25N
SMILES
C1C[C@H](N[C@H]1CCC2=CC=CC=C2)CCC3=CC=CC=C3
InChI
InChI=1S/C20H25N/c1-3-7-17(8-4-1)11-13-19-15-16-20(21-19)14-12-18-9-5-2-6-10-18/h1-10,19-21H,11-16H2/t19-,20+
InChIKey
PUDQCLXRJFKADI-BGYRXZFFSA-N
Compound name
(2S,5R)-2,5-bis(2-phenylethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

279.1987 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.205976 169.1
[M+Na]+ 302.187918 172.8
[M-H]- 278.191424 174.8
[M+NH4]+ 297.232523 184.1
[M+K]+ 318.161858 166.3
[M+H-H2O]+ 262.195960 159.9
[M+HCOO]- 324.196901 188.0
[M+CH3COO]- 338.212551 178.8
[M+Na-2H]- 300.173366 170.4
[M]+ 279.19815142 164.5
[M]- 279.19924858 164.5
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.