CID 3052969

69440-54-6

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]+ 294.221636 173.5
[M+Na]+ 316.203578 179.3
[M-H]- 292.207084 181.2
[M+NH4]+ 311.248183 191.1
[M+K]+ 332.177518 173.6
[M+H-H2O]+ 276.211620 164.3
[M+HCOO]- 338.212561 193.6
[M+CH3COO]- 352.228211 184.3
[M+Na-2H]- 314.189026 174.9
[M]+ 293.21381142 171.8
[M]- 293.21490858 171.8
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.