CID 3072410

(-)-1-phenyl-n-(4-phenylbutyl)-2-pyrrolidinemethanamine monohydrochloride

Structural Information

Molecular Formula
C21H28N2
SMILES
C1CC(N(C1)C2=CC=CC=C2)CNCCCCC3=CC=CC=C3
InChI
InChI=1S/C21H28N2/c1-3-10-19(11-4-1)12-7-8-16-22-18-21-15-9-17-23(21)20-13-5-2-6-14-20/h1-6,10-11,13-14,21-22H,7-9,12,15-18H2
InChIKey
YWYUWGCFHRCFSY-UHFFFAOYSA-N
Compound name
4-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.22525 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.23253 180.0
[M+Na]+ 331.21447 192.5
[M+NH4]+ 326.25907 188.9
[M+K]+ 347.18841 184.1
[M-H]- 307.21797 186.8
[M+Na-2H]- 329.19992 189.2
[M]+ 308.22470 183.7
[M]- 308.22580 183.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.