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

0
Patents

381.2304 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.23768 196.8
[M+Na]+ 404.21962 198.7
[M-H]- 380.22312 202.9
[M+NH4]+ 399.26422 207.8
[M+K]+ 420.19356 194.4
[M+H-H2O]+ 364.22766 185.5
[M+HCOO]- 426.22860 213.1
[M+CH3COO]- 440.24425 217.4
[M+Na-2H]- 402.20507 197.9
[M]+ 381.22985 196.0
[M]- 381.23095 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.