CID 24844565

102206-69-9

Structural Information

Molecular Formula
C20H27NO3
SMILES
CN1CCC(=CC1)COC(=O)C(C2=CC=CC=C2)C3(CCCC3)O
InChI
InChI=1S/C20H27NO3/c1-21-13-9-16(10-14-21)15-24-19(22)18(17-7-3-2-4-8-17)20(23)11-5-6-12-20/h2-4,7-9,18,23H,5-6,10-15H2,1H3
InChIKey
OXJRBQOXYAVXTQ-UHFFFAOYSA-N
Compound name
(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl 2-(1-hydroxycyclopentyl)-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1991 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.206376 181.8
[M+Na]+ 352.188318 183.8
[M-H]- 328.191824 187.3
[M+NH4]+ 347.232923 196.2
[M+K]+ 368.162258 180.3
[M+H-H2O]+ 312.196360 173.0
[M+HCOO]- 374.197301 196.5
[M+CH3COO]- 388.212951 204.2
[M+Na-2H]- 350.173766 180.0
[M]+ 329.19855142 176.9
[M]- 329.19964858 176.9
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.