CID 3052969

3-(m-benzylphenyl)-1-methyl-3-propylpyrrolidine

Structural Information

Molecular Formula
C21H27N
SMILES
CCCC1(CCN(C1)C)C2=CC=CC(=C2)CC3=CC=CC=C3
InChI
InChI=1S/C21H27N/c1-3-12-21(13-14-22(2)17-21)20-11-7-10-19(16-20)15-18-8-5-4-6-9-18/h4-11,16H,3,12-15,17H2,1-2H3
InChIKey
BFTPOVVJQRKWIE-UHFFFAOYSA-N
Compound name
3-(3-benzylphenyl)-1-methyl-3-propylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.21436 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.22164 175.0
[M+Na]+ 316.20358 189.4
[M+NH4]+ 311.24818 186.0
[M+K]+ 332.17752 179.1
[M-H]- 292.20708 181.7
[M+Na-2H]- 314.18903 185.9
[M]+ 293.21381 179.3
[M]- 293.21491 179.3
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

No patent data available for this compound.