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]+ 330.20638 181.8
[M+Na]+ 352.18832 183.8
[M-H]- 328.19182 187.3
[M+NH4]+ 347.23292 196.2
[M+K]+ 368.16226 180.3
[M+H-H2O]+ 312.19636 173.0
[M+HCOO]- 374.19730 196.5
[M+CH3COO]- 388.21295 204.2
[M+Na-2H]- 350.17377 180.0
[M]+ 329.19855 176.9
[M]- 329.19965 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.