CID 58804

101710-97-8

Structural Information

Molecular Formula
C18H23NO3
SMILES
CC(=C)C(C1=CC=CC=C1)(C(=O)OCC2=CN(CCC2)C)O
InChI
InChI=1S/C18H23NO3/c1-14(2)18(21,16-9-5-4-6-10-16)17(20)22-13-15-8-7-11-19(3)12-15/h4-6,9-10,12,21H,1,7-8,11,13H2,2-3H3
InChIKey
AHUYBKUKIJKAPW-UHFFFAOYSA-N
Compound name
(1-methyl-3,4-dihydro-2H-pyridin-5-yl)methyl 2-hydroxy-3-methyl-2-phenylbut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1678 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.17508 172.4
[M+Na]+ 324.15702 182.9
[M+NH4]+ 319.20162 178.4
[M+K]+ 340.13096 177.8
[M-H]- 300.16052 173.6
[M+Na-2H]- 322.14247 177.8
[M]+ 301.16725 174.0
[M]- 301.16835 174.0
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.