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 171.7
[M+Na]+ 317.19882 174.9
[M-H]- 293.20232 178.6
[M+NH4]+ 312.24342 186.4
[M+K]+ 333.17276 169.2
[M+H-H2O]+ 277.20686 161.7
[M+HCOO]- 339.20780 193.1
[M+CH3COO]- 353.22345 181.5
[M+Na-2H]- 315.18427 174.1
[M]+ 294.20905 168.3
[M]- 294.21015 168.3
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