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]+ 330.20638 178.3
[M+Na]+ 352.18832 180.1
[M-H]- 328.19182 183.6
[M+NH4]+ 347.23292 183.2
[M+K]+ 368.16226 179.9
[M+H-H2O]+ 312.19636 164.0
[M+HCOO]- 374.19730 191.3
[M+CH3COO]- 388.21295 209.9
[M+Na-2H]- 350.17377 178.6
[M]+ 329.19855 184.0
[M]- 329.19965 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.