PubChemLite - Nsc623882 (C29H28ClN3O4)

Structural Information

Molecular Formula

SMILES

CC1=C(C(C(=C(N1)C)C(=O)NC2=CC=CC=C2OC)C3=CC=CC=C3Cl)C(=O)NC4=CC=CC=C4OC

InChI

InChI=1S/C29H28ClN3O4/c1-17-25(28(34)32-21-13-7-9-15-23(21)36-3)27(19-11-5-6-12-20(19)30)26(18(2)31-17)29(35)33-22-14-8-10-16-24(22)37-4/h5-16,27,31H,1-4H3,(H,32,34)(H,33,35)

InChIKey

MZSRVBDQJHIKSP-UHFFFAOYSA-N

Compound name

4-(2-chlorophenyl)-3-N,5-N-bis(2-methoxyphenyl)-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]+	518.18408	226.8
[M+Na]+	540.16602	232.2
[M-H]-	516.16952	236.7
[M+NH4]+	535.21062	230.6
[M+K]+	556.13996	225.6
[M+H-H2O]+	500.17406	214.9
[M+HCOO]-	562.17500	240.6
[M+CH3COO]-	576.19065	248.9
[M+Na-2H]-	538.15147	224.1
[M]+	517.17625	229.8
[M]-	517.17735	229.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

518.18408

226.8

[M+Na]+

540.16602

232.2

[M-H]-

516.16952

236.7

[M+NH4]+

535.21062

230.6

[M+K]+

556.13996

225.6

[M+H-H2O]+

500.17406

214.9

[M+HCOO]-

562.17500

240.6

[M+CH3COO]-

576.19065

248.9

[M+Na-2H]-

538.15147

224.1

[M]+

517.17625

229.8

[M]-

517.17735

229.8

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

Nsc623882

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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