CID 58879

101756-55-2

Structural Information

Molecular Formula
C20H27NO3
SMILES
CC1=CCN(CC1COC(=O)C(C2CCC2)(C3=CC=CC=C3)O)C
InChI
InChI=1S/C20H27NO3/c1-15-11-12-21(2)13-16(15)14-24-19(22)20(23,18-9-6-10-18)17-7-4-3-5-8-17/h3-5,7-8,11,16,18,23H,6,9-10,12-14H2,1-2H3
InChIKey
TWLYYPYKMIABSI-UHFFFAOYSA-N
Compound name
(1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl)methyl 2-cyclobutyl-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1991 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.206376 178.3
[M+Na]+ 352.188318 180.1
[M-H]- 328.191824 183.6
[M+NH4]+ 347.232923 183.2
[M+K]+ 368.162258 179.9
[M+H-H2O]+ 312.196360 164.0
[M+HCOO]- 374.197301 191.3
[M+CH3COO]- 388.212951 209.9
[M+Na-2H]- 350.173766 178.6
[M]+ 329.19855142 184.0
[M]- 329.19964858 184.0
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.