CID 129839

70677-78-0

Structural Information

Molecular Formula

C₁₇H₁₉NO₄

SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C17H19NO4/c1-10-13(16(19)21-3)15(12-8-6-5-7-9-12)14(11(2)18-10)17(20)22-4/h5-9,15,18H,1-4H3

InChIKey

QDHIAGVDKRWZNF-UHFFFAOYSA-N

Compound name

dimethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 66
Patents: 301.1314 Da
Monoisotopic Mass: 2.4
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]+	302.138676	169.1
[M+Na]+	324.120618	176.5
[M-H]-	300.124124	173.5
[M+NH4]+	319.165223	182.5
[M+K]+	340.094558	173.5
[M+H-H2O]+	284.128660	161.1
[M+HCOO]-	346.129601	187.5
[M+CH3COO]-	360.145251	203.4
[M+Na-2H]-	322.106066	169.2
[M]+	301.13085142	171.1
[M]-	301.13194858	171.1

Literature stripe

literature stripe

Patent stripe

patents stripe