CID 37400

36174-87-5

Structural Information

Molecular Formula
C20H27NO3
SMILES
CN1CCC(=CC1)COC(=O)C(C2CCCC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H27NO3/c1-21-13-11-16(12-14-21)15-24-19(22)20(23,18-9-5-6-10-18)17-7-3-2-4-8-17/h2-4,7-8,11,18,23H,5-6,9-10,12-15H2,1H3
InChIKey
GQAIWYJSADTYQR-UHFFFAOYSA-N
Compound name
(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1991 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.20638 180.7
[M+Na]+ 352.18832 182.3
[M-H]- 328.19182 186.1
[M+NH4]+ 347.23292 193.2
[M+K]+ 368.16226 178.6
[M+H-H2O]+ 312.19636 172.0
[M+HCOO]- 374.19730 194.8
[M+CH3COO]- 388.21295 204.3
[M+Na-2H]- 350.17377 180.0
[M]+ 329.19855 175.7
[M]- 329.19965 175.7
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.