CID 45050940

853311-36-1

Structural Information

Molecular Formula

C₂₃H₂₅NO₆

SMILES

CC1=CC(=C(C=C1)OC)C2=CC=C(O2)C3C(=C(NC(=C3C(=O)OC)C)C)C(=O)OC

InChI

InChI=1S/C23H25NO6/c1-12-7-8-16(27-4)15(11-12)17-9-10-18(30-17)21-19(22(25)28-5)13(2)24-14(3)20(21)23(26)29-6/h7-11,21,24H,1-6H3

InChIKey

CJSXGYGSLNIXHD-UHFFFAOYSA-N

Compound name

dimethyl 4-[5-(2-methoxy-5-methylphenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 411.16818 Da
Monoisotopic Mass: 3.7
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]+	412.175456	197.7
[M+Na]+	434.157398	205.7
[M-H]-	410.160904	206.8
[M+NH4]+	429.202003	207.2
[M+K]+	450.131338	203.8
[M+H-H2O]+	394.165440	189.2
[M+HCOO]-	456.166381	215.4
[M+CH3COO]-	470.182031	225.7
[M+Na-2H]-	432.142846	193.4
[M]+	411.16763142	204.6
[M]-	411.16872858	204.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.