CID 206556

Brn 1486246

Structural Information

Molecular Formula
C21H27NO
SMILES
CCCC1(CCN(C1)C)C2=CC(=CC=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C21H27NO/c1-3-12-21(13-14-22(2)17-21)19-10-7-11-20(15-19)23-16-18-8-5-4-6-9-18/h4-11,15H,3,12-14,16-17H2,1-2H3
InChIKey
UCJVTCSDRPOCTJ-UHFFFAOYSA-N
Compound name
1-methyl-3-(3-phenylmethoxyphenyl)-3-propylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 177.1
[M+Na]+ 332.19848 182.6
[M-H]- 308.20198 184.7
[M+NH4]+ 327.24308 193.8
[M+K]+ 348.17242 177.6
[M+H-H2O]+ 292.20652 167.7
[M+HCOO]- 354.20746 197.3
[M+CH3COO]- 368.22311 205.7
[M+Na-2H]- 330.18393 178.5
[M]+ 309.20871 176.7
[M]- 309.20981 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

No patent data available for this compound.