PubChemLite - N3,n5-bis(2-chlorophenyl)-4-(2,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide (C27H21Cl4N3O2)

Structural Information

Molecular Formula

SMILES

CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2Cl)C3=C(C=C(C=C3)Cl)Cl)C(=O)NC4=CC=CC=C4Cl

InChI

InChI=1S/C27H21Cl4N3O2/c1-14-23(26(35)33-21-9-5-3-7-18(21)29)25(17-12-11-16(28)13-20(17)31)24(15(2)32-14)27(36)34-22-10-6-4-8-19(22)30/h3-13,25,32H,1-2H3,(H,33,35)(H,34,36)

InChIKey

JQMGSHGQSWHJIG-UHFFFAOYSA-N

Compound name

3-N,5-N-bis(2-chlorophenyl)-4-(2,4-dichlorophenyl)-2,6-dimethyl-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]+	560.04608	224.5
[M+Na]+	582.02802	232.2
[M-H]-	558.03152	230.7
[M+NH4]+	577.07262	228.4
[M+K]+	598.00196	224.0
[M+H-H2O]+	542.03606	215.6
[M+HCOO]-	604.03700	223.4
[M+CH3COO]-	618.05265	229.5
[M+Na-2H]-	580.01347	219.4
[M]+	559.03825	227.3
[M]-	559.03935	227.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

560.04608

224.5

[M+Na]+

582.02802

232.2

[M-H]-

558.03152

230.7

[M+NH4]+

577.07262

228.4

[M+K]+

598.00196

224.0

[M+H-H2O]+

542.03606

215.6

[M+HCOO]-

604.03700

223.4

[M+CH3COO]-

618.05265

229.5

[M+Na-2H]-

580.01347

219.4

[M]+

559.03825

227.3

[M]-

559.03935

227.3

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-chlorophenyl)-4-(2,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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