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

95
Patents

252.16264 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.16992 159.2
[M+Na]+ 275.15186 164.8
[M-H]- 251.15536 166.7
[M+NH4]+ 270.19646 175.8
[M+K]+ 291.12580 159.4
[M+H-H2O]+ 235.15990 150.2
[M+HCOO]- 297.16084 181.1
[M+CH3COO]- 311.17649 170.5
[M+Na-2H]- 273.13731 161.5
[M]+ 252.16209 154.3
[M]- 252.16319 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