CID 59840093

Rac-(3r,4s)-1-benzyl-4-phenylpyrrolidin-3-amine

Structural Information

Molecular Formula
C17H20N2
SMILES
C1[C@H]([C@@H](CN1CC2=CC=CC=C2)N)C3=CC=CC=C3
InChI
InChI=1S/C17H20N2/c18-17-13-19(11-14-7-3-1-4-8-14)12-16(17)15-9-5-2-6-10-15/h1-10,16-17H,11-13,18H2/t16-,17+/m0/s1
InChIKey
WXBOUFZFJFRVCW-DLBZAZTESA-N
Compound name
(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

252.16264 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.169916 159.2
[M+Na]+ 275.151858 164.8
[M-H]- 251.155364 166.7
[M+NH4]+ 270.196463 175.8
[M+K]+ 291.125798 159.4
[M+H-H2O]+ 235.159900 150.2
[M+HCOO]- 297.160841 181.1
[M+CH3COO]- 311.176491 170.5
[M+Na-2H]- 273.137306 161.5
[M]+ 252.16209142 154.3
[M]- 252.16318858 154.3
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