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 176.0
[M-H]- 300.16052 175.3
[M+NH4]+ 319.20162 184.8
[M+K]+ 340.13096 172.6
[M+H-H2O]+ 284.16506 164.4
[M+HCOO]- 346.16600 187.2
[M+CH3COO]- 360.18165 201.8
[M+Na-2H]- 322.14247 173.9
[M]+ 301.16725 170.2
[M]- 301.16835 170.2
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.