CID 207508

30131-50-1

Structural Information

Molecular Formula

C₂₀H₂₄N₂O₆

SMILES

CCOC(=O)C1=C(N(C(=C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)OCC)C)C)C

InChI

InChI=1S/C20H24N2O6/c1-6-27-19(23)16-12(3)21(5)13(4)17(20(24)28-7-2)18(16)14-10-8-9-11-15(14)22(25)26/h8-11,18H,6-7H2,1-5H3

InChIKey

MICMKHYRWUPXSR-UHFFFAOYSA-N

Compound name

diethyl 1,2,6-trimethyl-4-(2-nitrophenyl)-4H-pyridine-3,5-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 388.16342 Da
Monoisotopic Mass: 2.8
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]+	389.170696	190.8
[M+Na]+	411.152638	197.0
[M-H]-	387.156144	196.6
[M+NH4]+	406.197243	200.5
[M+K]+	427.126578	190.8
[M+H-H2O]+	371.160680	186.4
[M+HCOO]-	433.161621	210.5
[M+CH3COO]-	447.177271	218.3
[M+Na-2H]-	409.138086	190.5
[M]+	388.16287142	194.9
[M]-	388.16396858	194.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe