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]+ 295.216876 171.7
[M+Na]+ 317.198818 174.9
[M-H]- 293.202324 178.6
[M+NH4]+ 312.243423 186.4
[M+K]+ 333.172758 169.2
[M+H-H2O]+ 277.206860 161.7
[M+HCOO]- 339.207801 193.1
[M+CH3COO]- 353.223451 181.5
[M+Na-2H]- 315.184266 174.1
[M]+ 294.20905142 168.3
[M]- 294.21014858 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