CID 3052968

1-benzyl-3-(3-methoxyphenyl)-3-propylpyrrolidine

Structural Information

Molecular Formula
C21H27NO
SMILES
CCCC1(CCN(C1)CC2=CC=CC=C2)C3=CC(=CC=C3)OC
InChI
InChI=1S/C21H27NO/c1-3-12-21(19-10-7-11-20(15-19)23-2)13-14-22(17-21)16-18-8-5-4-6-9-18/h4-11,15H,3,12-14,16-17H2,1-2H3
InChIKey
FLYVNPOWMYPPOR-UHFFFAOYSA-N
Compound name
1-benzyl-3-(3-methoxyphenyl)-3-propylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

309.20926 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.216536 177.1
[M+Na]+ 332.198478 182.6
[M-H]- 308.201984 184.7
[M+NH4]+ 327.243083 193.8
[M+K]+ 348.172418 177.6
[M+H-H2O]+ 292.206520 167.7
[M+HCOO]- 354.207461 197.3
[M+CH3COO]- 368.223111 205.7
[M+Na-2H]- 330.183926 178.5
[M]+ 309.20871142 176.7
[M]- 309.20980858 176.7
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