CID 3072406

2-pyrrolidinemethanamine, 1-phenyl-n-(3-phenylpropyl)-, monohydrochloride, (s)-

Structural Information

Molecular Formula
C20H26N2
SMILES
C1C[C@H](N(C1)C2=CC=CC=C2)CNCCCC3=CC=CC=C3
InChI
InChI=1S/C20H26N2/c1-3-9-18(10-4-1)11-7-15-21-17-20-14-8-16-22(20)19-12-5-2-6-13-19/h1-6,9-10,12-13,20-21H,7-8,11,14-17H2/t20-/m0/s1
InChIKey
UURZWBSZYSZLTA-FQEVSTJZSA-N
Compound name
3-phenyl-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.2096 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.21688 175.4
[M+Na]+ 317.19882 188.2
[M+NH4]+ 312.24342 184.5
[M+K]+ 333.17276 180.0
[M-H]- 293.20232 182.3
[M+Na-2H]- 315.18427 185.0
[M]+ 294.20905 179.2
[M]- 294.21015 179.2
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.

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No patent data available for this compound.