CID 3047395

63490-88-0

Structural Information

Molecular Formula
C26H31NO4
SMILES
CN1CCC(CC1)OC(=O)C(C2CCCC2)(C3=CC=CC=C3)OC(=O)C4=CC=CC=C4
InChI
InChI=1S/C26H31NO4/c1-27-18-16-23(17-19-27)30-25(29)26(22-14-8-9-15-22,21-12-6-3-7-13-21)31-24(28)20-10-4-2-5-11-20/h2-7,10-13,22-23H,8-9,14-19H2,1H3
InChIKey
DZNZTRREWYBYQY-UHFFFAOYSA-N
Compound name
[1-cyclopentyl-2-(1-methylpiperidin-4-yl)oxy-2-oxo-1-phenylethyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

421.2253 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.23258 202.8
[M+Na]+ 444.21452 202.0
[M-H]- 420.21802 211.7
[M+NH4]+ 439.25912 211.1
[M+K]+ 460.18846 198.4
[M+H-H2O]+ 404.22256 192.0
[M+HCOO]- 466.22350 215.3
[M+CH3COO]- 480.23915 222.5
[M+Na-2H]- 442.19997 199.7
[M]+ 421.22475 197.3
[M]- 421.22585 197.3
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

patents stripe