CID 609325

95437-11-9

Structural Information

Molecular Formula
C23H29NO2
SMILES
CCC(=O)OC1(CCN(CC1C)CCC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H29NO2/c1-3-22(25)26-23(21-12-8-5-9-13-21)15-17-24(18-19(23)2)16-14-20-10-6-4-7-11-20/h4-13,19H,3,14-18H2,1-2H3
InChIKey
KVPBRABILAEBJD-UHFFFAOYSA-N
Compound name
[3-methyl-4-phenyl-1-(2-phenylethyl)piperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.21982 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.227096 189.0
[M+Na]+ 374.209038 192.6
[M-H]- 350.212544 195.8
[M+NH4]+ 369.253643 201.7
[M+K]+ 390.182978 187.8
[M+H-H2O]+ 334.217080 178.4
[M+HCOO]- 396.218021 205.5
[M+CH3COO]- 410.233671 213.6
[M+Na-2H]- 372.194486 189.9
[M]+ 351.21927142 187.0
[M]- 351.22036858 187.0
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.