PubChemLite - 476482-89-0 (C30H28FN3O3)

Structural Information

Molecular Formula

SMILES

CC1=NC(=CC=C1)NC(=O)C2=C(NC3=C(C2C4=CC=C(C=C4)F)C(=O)CC(C3)C5=CC=C(C=C5)OC)C

InChI

InChI=1S/C30H28FN3O3/c1-17-5-4-6-26(32-17)34-30(36)27-18(2)33-24-15-21(19-9-13-23(37-3)14-10-19)16-25(35)29(24)28(27)20-7-11-22(31)12-8-20/h4-14,21,28,33H,15-16H2,1-3H3,(H,32,34,36)

InChIKey

BELILUAABDFFLU-UHFFFAOYSA-N

Compound name

4-(4-fluorophenyl)-7-(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]+	498.21874	226.2
[M+Na]+	520.20068	231.8
[M-H]-	496.20418	233.7
[M+NH4]+	515.24528	229.4
[M+K]+	536.17462	223.5
[M+H-H2O]+	480.20872	211.5
[M+HCOO]-	542.20966	237.7
[M+CH3COO]-	556.22531	231.4
[M+Na-2H]-	518.18613	223.2
[M]+	497.21091	222.2
[M]-	497.21201	222.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

498.21874

226.2

[M+Na]+

520.20068

231.8

[M-H]-

496.20418

233.7

[M+NH4]+

515.24528

229.4

[M+K]+

536.17462

223.5

[M+H-H2O]+

480.20872

211.5

[M+HCOO]-

542.20966

237.7

[M+CH3COO]-

556.22531

231.4

[M+Na-2H]-

518.18613

223.2

[M]+

497.21091

222.2

[M]-

497.21201

222.2

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

476482-89-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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