CID 985408

182678-66-6

Structural Information

Molecular Formula

C₂₄H₂₅NO₅

SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H25NO5/c1-15-20(23(26)28-3)22(21(16(2)25-15)24(27)29-4)18-10-12-19(13-11-18)30-14-17-8-6-5-7-9-17/h5-13,22,25H,14H2,1-4H3

InChIKey

APWYDWRFWROZIT-UHFFFAOYSA-N

Compound name

dimethyl 2,6-dimethyl-4-(4-phenylmethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 407.17328 Da
Monoisotopic Mass: 4.0
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]+	408.180556	198.5
[M+Na]+	430.162498	204.4
[M-H]-	406.166004	205.5
[M+NH4]+	425.207103	206.8
[M+K]+	446.136438	200.4
[M+H-H2O]+	390.170540	187.9
[M+HCOO]-	452.171481	215.7
[M+CH3COO]-	466.187131	223.7
[M+Na-2H]-	428.147946	196.6
[M]+	407.17273142	201.8
[M]-	407.17382858	201.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.