PubChemLite - 361195-15-5 (C24H25N3O3)

Structural Information

Molecular Formula

SMILES

CC1=NC(=CC=C1)NC(=O)C2=C(NC3=C(C2C4=CC=C(C=C4)OC)C(=O)CCC3)C

InChI

InChI=1S/C24H25N3O3/c1-14-6-4-9-20(25-14)27-24(29)21-15(2)26-18-7-5-8-19(28)23(18)22(21)16-10-12-17(30-3)13-11-16/h4,6,9-13,22,26H,5,7-8H2,1-3H3,(H,25,27,29)

InChIKey

UURPPMWQDANQOD-UHFFFAOYSA-N

Compound name

4-(4-methoxyphenyl)-2-methyl-N-(6-methylpyridin-2-yl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-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]+	404.19688	200.0
[M+Na]+	426.17882	205.7
[M-H]-	402.18232	206.1
[M+NH4]+	421.22342	207.6
[M+K]+	442.15276	199.1
[M+H-H2O]+	386.18686	188.5
[M+HCOO]-	448.18780	214.1
[M+CH3COO]-	462.20345	207.4
[M+Na-2H]-	424.16427	200.1
[M]+	403.18905	197.2
[M]-	403.19015	197.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

404.19688

200.0

[M+Na]+

426.17882

205.7

[M-H]-

402.18232

206.1

[M+NH4]+

421.22342

207.6

[M+K]+

442.15276

199.1

[M+H-H2O]+

386.18686

188.5

[M+HCOO]-

448.18780

214.1

[M+CH3COO]-

462.20345

207.4

[M+Na-2H]-

424.16427

200.1

[M]+

403.18905

197.2

[M]-

403.19015

197.2

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

361195-15-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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