CID 3072413

(-)-1-phenyl-n-(phenylmethyl)-2-pyrrolidinemethanamine fumarate

Structural Information

Molecular Formula
C18H22N2
SMILES
C1CC(N(C1)C2=CC=CC=C2)CNCC3=CC=CC=C3
InChI
InChI=1S/C18H22N2/c1-3-8-16(9-4-1)14-19-15-18-12-7-13-20(18)17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2
InChIKey
HVJFLJHRNSZSIX-UHFFFAOYSA-N
Compound name
N-benzyl-1-(1-phenylpyrrolidin-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.17828 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18556 162.8
[M+Na]+ 289.16750 166.9
[M-H]- 265.17100 170.1
[M+NH4]+ 284.21210 178.7
[M+K]+ 305.14144 161.7
[M+H-H2O]+ 249.17554 153.2
[M+HCOO]- 311.17648 184.9
[M+CH3COO]- 325.19213 173.5
[M+Na-2H]- 287.15295 166.3
[M]+ 266.17773 158.8
[M]- 266.17883 158.8
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.