CID 203048

13712-53-3

Structural Information

Molecular Formula
C23H29NO2
SMILES
CCCC1(CCN(C1)CCC2=CC=CC=C2)C3=CC(=CC=C3)OC(=O)C
InChI
InChI=1S/C23H29NO2/c1-3-13-23(21-10-7-11-22(17-21)26-19(2)25)14-16-24(18-23)15-12-20-8-5-4-6-9-20/h4-11,17H,3,12-16,18H2,1-2H3
InChIKey
XMHWCXKJOKIDRC-UHFFFAOYSA-N
Compound name
[3-[1-(2-phenylethyl)-3-propylpyrrolidin-3-yl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.21982 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.22710 189.3
[M+Na]+ 374.20904 201.9
[M+NH4]+ 369.25364 198.3
[M+K]+ 390.18298 193.0
[M-H]- 350.21254 194.4
[M+Na-2H]- 372.19449 198.3
[M]+ 351.21927 192.7
[M]- 351.22037 192.7
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.