PubChemLite - N,n'-bis(4-chlorophenyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide (C27H22Cl2N4O4)

Structural Information

Molecular Formula

SMILES

CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=C(C=C2)Cl)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H22Cl2N4O4/c1-15-23(26(34)31-20-10-6-18(28)7-11-20)25(17-4-3-5-22(14-17)33(36)37)24(16(2)30-15)27(35)32-21-12-8-19(29)9-13-21/h3-14,25,30H,1-2H3,(H,31,34)(H,32,35)

InChIKey

SLINLTALMDEVCH-UHFFFAOYSA-N

Compound name

3-N,5-N-bis(4-chlorophenyl)-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]+	537.10908	226.5
[M+Na]+	559.09102	230.1
[M-H]-	535.09452	234.9
[M+NH4]+	554.13562	228.8
[M+K]+	575.06496	218.9
[M+H-H2O]+	519.09906	220.1
[M+HCOO]-	581.10000	236.3
[M+CH3COO]-	595.11565	242.9
[M+Na-2H]-	557.07647	225.8
[M]+	536.10125	226.6
[M]-	536.10235	226.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

537.10908

226.5

[M+Na]+

559.09102

230.1

[M-H]-

535.09452

234.9

[M+NH4]+

554.13562

228.8

[M+K]+

575.06496

218.9

[M+H-H2O]+

519.09906

220.1

[M+HCOO]-

581.10000

236.3

[M+CH3COO]-

595.11565

242.9

[M+Na-2H]-

557.07647

225.8

[M]+

536.10125

226.6

[M]-

536.10235

226.6

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe