CID 3052968

69440-53-5

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

1
Patents

309.20926 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 178.2
[M+Na]+ 332.19848 192.1
[M+NH4]+ 327.24308 188.6
[M+K]+ 348.17242 182.4
[M-H]- 308.20198 184.4
[M+Na-2H]- 330.18393 188.7
[M]+ 309.20871 182.3
[M]- 309.20981 182.3
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