PubChemLite - 4-(2,3-dichlorophenyl)-2,7,7-trimethyl-n-(4-methyl-2-pyridinyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide (C25H25Cl2N3O2)

Structural Information

Molecular Formula

SMILES

CC1=CC(=NC=C1)NC(=O)C2=C(NC3=C(C2C4=C(C(=CC=C4)Cl)Cl)C(=O)CC(C3)(C)C)C

InChI

InChI=1S/C25H25Cl2N3O2/c1-13-8-9-28-19(10-13)30-24(32)20-14(2)29-17-11-25(3,4)12-18(31)22(17)21(20)15-6-5-7-16(26)23(15)27/h5-10,21,29H,11-12H2,1-4H3,(H,28,30,32)

InChIKey

JXEBBXLDZNCJQQ-UHFFFAOYSA-N

Compound name

4-(2,3-dichlorophenyl)-2,7,7-trimethyl-N-(4-methylpyridin-2-yl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide

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]+	470.13968	211.4
[M+Na]+	492.12162	220.8
[M-H]-	468.12512	217.3
[M+NH4]+	487.16622	220.7
[M+K]+	508.09556	212.1
[M+H-H2O]+	452.12966	201.7
[M+HCOO]-	514.13060	215.7
[M+CH3COO]-	528.14625	218.7
[M+Na-2H]-	490.10707	209.6
[M]+	469.13185	212.8
[M]-	469.13295	212.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

470.13968

211.4

[M+Na]+

492.12162

220.8

[M-H]-

468.12512

217.3

[M+NH4]+

487.16622

220.7

[M+K]+

508.09556

212.1

[M+H-H2O]+

452.12966

201.7

[M+HCOO]-

514.13060

215.7

[M+CH3COO]-

528.14625

218.7

[M+Na-2H]-

490.10707

209.6

[M]+

469.13185

212.8

[M]-

469.13295

212.8

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

4-(2,3-dichlorophenyl)-2,7,7-trimethyl-n-(4-methyl-2-pyridinyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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