354793-83-2 (C24H25N3O3)

Structural Information

Molecular Formula

SMILES

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

InChI

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

InChIKey

ZQKMCRJYZKHNBE-UHFFFAOYSA-N

Compound name

4-(3-methoxyphenyl)-2-methyl-N-(6-methyl-2-pyridinyl)-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]+	404.196876	200.0
[M+Na]+	426.178818	205.7
[M-H]-	402.182324	206.1
[M+NH4]+	421.223423	207.6
[M+K]+	442.152758	199.1
[M+H-H2O]+	386.186860	188.5
[M+HCOO]-	448.187801	214.1
[M+CH3COO]-	462.203451	207.4
[M+Na-2H]-	424.164266	200.1
[M]+	403.18905142	197.2
[M]-	403.19014858	197.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

404.196876

200.0

[M+Na]+

426.178818

205.7

[M-H]-

402.182324

206.1

[M+NH4]+

421.223423

207.6

[M+K]+

442.152758

199.1

[M+H-H2O]+

386.186860

188.5

[M+HCOO]-

448.187801

214.1

[M+CH3COO]-

462.203451

207.4

[M+Na-2H]-

424.164266

200.1

[M]+

403.18905142

197.2

[M]-

403.19014858

197.2

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

354793-83-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe