CID 3075799

Ab-35

Structural Information

Molecular Formula
C24H31NO3
SMILES
CCC(=O)OC1(CCN(CC1)CCCCOC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C24H31NO3/c1-2-23(26)28-24(21-11-5-3-6-12-21)15-18-25(19-16-24)17-9-10-20-27-22-13-7-4-8-14-22/h3-8,11-14H,2,9-10,15-20H2,1H3
InChIKey
VTGUHOYQBFEGCP-UHFFFAOYSA-N
Compound name
[1-(4-phenoxybutyl)-4-phenylpiperidin-4-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

381.2304 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.237676 196.8
[M+Na]+ 404.219618 198.7
[M-H]- 380.223124 202.9
[M+NH4]+ 399.264223 207.8
[M+K]+ 420.193558 194.4
[M+H-H2O]+ 364.227660 185.5
[M+HCOO]- 426.228601 213.1
[M+CH3COO]- 440.244251 217.4
[M+Na-2H]- 402.205066 197.9
[M]+ 381.22985142 196.0
[M]- 381.23094858 196.0
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.