CID 13362434

93101-37-2

Structural Information

Molecular Formula

C₂₂H₂₅NO₃

SMILES

CN1CCC(=CC1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O

InChI

InChI=1S/C22H25NO3/c1-23-15-12-18(13-16-23)14-17-26-21(24)22(25,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-12,25H,13-17H2,1H3

InChIKey

IJXGSUHJQVQLHW-UHFFFAOYSA-N

Compound name

2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)ethyl 2-hydroxy-2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 351.18344 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	352.190716	185.9
[M+Na]+	374.172658	188.7
[M-H]-	350.176164	191.4
[M+NH4]+	369.217263	195.6
[M+K]+	390.146598	184.0
[M+H-H2O]+	334.180700	175.8
[M+HCOO]-	396.181641	201.2
[M+CH3COO]-	410.197291	209.8
[M+Na-2H]-	372.158106	188.7
[M]+	351.18289142	183.4
[M]-	351.18398858	183.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.