CID 3053108

69551-95-7

Structural Information

Molecular Formula
C23H31NO
SMILES
CCCC1(CCN(C1)CCCC2=CC=CC=C2)C3=CC(=CC=C3)OC
InChI
InChI=1S/C23H31NO/c1-3-14-23(21-12-7-13-22(18-21)25-2)15-17-24(19-23)16-8-11-20-9-5-4-6-10-20/h4-7,9-10,12-13,18H,3,8,11,14-17,19H2,1-2H3
InChIKey
ORUPLSNKPQJIPQ-UHFFFAOYSA-N
Compound name
3-(3-methoxyphenyl)-1-(3-phenylpropyl)-3-propylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.24057 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.24785 186.0
[M+Na]+ 360.22979 190.6
[M-H]- 336.23329 193.2
[M+NH4]+ 355.27439 201.5
[M+K]+ 376.20373 185.1
[M+H-H2O]+ 320.23783 176.1
[M+HCOO]- 382.23877 205.5
[M+CH3COO]- 396.25442 211.6
[M+Na-2H]- 358.21524 186.3
[M]+ 337.24002 186.3
[M]- 337.24112 186.3
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.