PubChemLite - N-methyl-4-piperidyl alpha-(n-(7-chloro-4-quinolyl)anthraniloyloxy)propionate (C25H26ClN3O4)

Structural Information

Molecular Formula

SMILES

CC(C(=O)OC1CCN(CC1)C)OC(=O)C2=CC=CC=C2NC3=C4C=CC(=CC4=NC=C3)Cl

InChI

InChI=1S/C25H26ClN3O4/c1-16(24(30)33-18-10-13-29(2)14-11-18)32-25(31)20-5-3-4-6-21(20)28-22-9-12-27-23-15-17(26)7-8-19(22)23/h3-9,12,15-16,18H,10-11,13-14H2,1-2H3,(H,27,28)

InChIKey

OOTAICQTJVLOCU-UHFFFAOYSA-N

Compound name

[1-(1-methylpiperidin-4-yl)oxy-1-oxopropan-2-yl] 2-[(7-chloroquinolin-4-yl)amino]benzoate

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]+	468.16848	209.4
[M+Na]+	490.15042	213.0
[M-H]-	466.15392	215.7
[M+NH4]+	485.19502	215.2
[M+K]+	506.12436	207.8
[M+H-H2O]+	450.15846	197.7
[M+HCOO]-	512.15940	218.4
[M+CH3COO]-	526.17505	236.2
[M+Na-2H]-	488.13587	208.7
[M]+	467.16065	210.5
[M]-	467.16175	210.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

468.16848

209.4

[M+Na]+

490.15042

213.0

[M-H]-

466.15392

215.7

[M+NH4]+

485.19502

215.2

[M+K]+

506.12436

207.8

[M+H-H2O]+

450.15846

197.7

[M+HCOO]-

512.15940

218.4

[M+CH3COO]-

526.17505

236.2

[M+Na-2H]-

488.13587

208.7

[M]+

467.16065

210.5

[M]-

467.16175

210.5

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

N-methyl-4-piperidyl alpha-(n-(7-chloro-4-quinolyl)anthraniloyloxy)propionate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe