PubChemLite - N3,n5-bis(2-methoxyphenyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide (C29H28N4O6)

Structural Information

Molecular Formula

SMILES

CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C29H28N4O6/c1-17-25(28(34)31-21-12-5-7-14-23(21)38-3)27(19-10-9-11-20(16-19)33(36)37)26(18(2)30-17)29(35)32-22-13-6-8-15-24(22)39-4/h5-16,27,30H,1-4H3,(H,31,34)(H,32,35)

InChIKey

REKMNEQEAGFZLC-UHFFFAOYSA-N

Compound name

3-N,5-N-bis(2-methoxyphenyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide

Related CIDs

2D Structure

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]+	529.20815	226.7
[M+Na]+	551.19009	228.0
[M-H]-	527.19359	236.2
[M+NH4]+	546.23469	227.3
[M+K]+	567.16403	219.6
[M+H-H2O]+	511.19813	217.7
[M+HCOO]-	573.19907	245.2
[M+CH3COO]-	587.21472	246.4
[M+Na-2H]-	549.17554	227.1
[M]+	528.20032	225.0
[M]-	528.20142	225.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

529.20815

226.7

[M+Na]+

551.19009

228.0

[M-H]-

527.19359

236.2

[M+NH4]+

546.23469

227.3

[M+K]+

567.16403

219.6

[M+H-H2O]+

511.19813

217.7

[M+HCOO]-

573.19907

245.2

[M+CH3COO]-

587.21472

246.4

[M+Na-2H]-

549.17554

227.1

[M]+

528.20032

225.0

[M]-

528.20142

225.0

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

N3,n5-bis(2-methoxyphenyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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