PubChemLite - N3,n5-bis(2-chlorophenyl)-4-(2-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide (C27H23Cl2N3O3)

Structural Information

Molecular Formula

SMILES

CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2Cl)C3=CC=CC=C3O)C(=O)NC4=CC=CC=C4Cl

InChI

InChI=1S/C27H23Cl2N3O3/c1-15-23(26(34)31-20-12-6-4-10-18(20)28)25(17-9-3-8-14-22(17)33)24(16(2)30-15)27(35)32-21-13-7-5-11-19(21)29/h3-14,25,30,33H,1-2H3,(H,31,34)(H,32,35)

InChIKey

BIAXIXNBDFEQNI-UHFFFAOYSA-N

Compound name

3-N,5-N-bis(2-chlorophenyl)-4-(2-hydroxyphenyl)-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]+	508.11891	219.5
[M+Na]+	530.10085	226.2
[M-H]-	506.10435	227.7
[M+NH4]+	525.14545	224.1
[M+K]+	546.07479	217.7
[M+H-H2O]+	490.10889	209.6
[M+HCOO]-	552.10983	227.7
[M+CH3COO]-	566.12548	225.8
[M+Na-2H]-	528.08630	216.9
[M]+	507.11108	220.9
[M]-	507.11218	220.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

508.11891

219.5

[M+Na]+

530.10085

226.2

[M-H]-

506.10435

227.7

[M+NH4]+

525.14545

224.1

[M+K]+

546.07479

217.7

[M+H-H2O]+

490.10889

209.6

[M+HCOO]-

552.10983

227.7

[M+CH3COO]-

566.12548

225.8

[M+Na-2H]-

528.08630

216.9

[M]+

507.11108

220.9

[M]-

507.11218

220.9

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-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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