PubChemLite - N-[(4-chlorophenyl)methyl]-6-[(4,4-difluoro-1-piperidyl)methyl]-1-methyl-4-oxo-quinoline-3-carboxamide (C24H24ClF2N3O2)

Structural Information

Molecular Formula

SMILES

CN1C=C(C(=O)C2=C1C=CC(=C2)CN3CCC(CC3)(F)F)C(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H24ClF2N3O2/c1-29-15-20(23(32)28-13-16-2-5-18(25)6-3-16)22(31)19-12-17(4-7-21(19)29)14-30-10-8-24(26,27)9-11-30/h2-7,12,15H,8-11,13-14H2,1H3,(H,28,32)

InChIKey

RGGMXCCBGOXMRI-UHFFFAOYSA-N

Compound name

N-[(4-chlorophenyl)methyl]-6-[(4,4-difluoropiperidin-1-yl)methyl]-1-methyl-4-oxoquinoline-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]+	460.15978	209.3
[M+Na]+	482.14172	217.6
[M-H]-	458.14522	213.8
[M+NH4]+	477.18632	218.4
[M+K]+	498.11566	209.1
[M+H-H2O]+	442.14976	196.0
[M+HCOO]-	504.15070	218.0
[M+CH3COO]-	518.16635	216.3
[M+Na-2H]-	480.12717	208.9
[M]+	459.15195	207.6
[M]-	459.15305	207.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

460.15978

209.3

[M+Na]+

482.14172

217.6

[M-H]-

458.14522

213.8

[M+NH4]+

477.18632

218.4

[M+K]+

498.11566

209.1

[M+H-H2O]+

442.14976

196.0

[M+HCOO]-

504.15070

218.0

[M+CH3COO]-

518.16635

216.3

[M+Na-2H]-

480.12717

208.9

[M]+

459.15195

207.6

[M]-

459.15305

207.6

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

N-[(4-chlorophenyl)methyl]-6-[(4,4-difluoro-1-piperidyl)methyl]-1-methyl-4-oxo-quinoline-3-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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