CID 3072408

(-)-n-methyl-1-phenyl-n-(3-phenylpropyl)-2-pyrrolidinemethanamine monohydrochloride

Structural Information

Molecular Formula
C21H28N2
SMILES
CN(CCCC1=CC=CC=C1)CC2CCCN2C3=CC=CC=C3
InChI
InChI=1S/C21H28N2/c1-22(16-8-12-19-10-4-2-5-11-19)18-21-15-9-17-23(21)20-13-6-3-7-14-20/h2-7,10-11,13-14,21H,8-9,12,15-18H2,1H3
InChIKey
ZYVKXFNTNPOXNH-UHFFFAOYSA-N
Compound name
N-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.22525 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.23253 177.2
[M+Na]+ 331.21447 180.1
[M-H]- 307.21797 185.4
[M+NH4]+ 326.25907 191.9
[M+K]+ 347.18841 175.5
[M+H-H2O]+ 291.22251 166.8
[M+HCOO]- 353.22345 198.7
[M+CH3COO]- 367.23910 211.3
[M+Na-2H]- 329.19992 178.2
[M]+ 308.22470 175.4
[M]- 308.22580 175.4
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.