765909-83-9 (C26H20ClN5O3)

Structural Information

Molecular Formula

SMILES

CC1=CC2=NC(=C(C=C2C=C1)/C=N/NC(=O)C(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4)Cl

InChI

InChI=1S/C26H20ClN5O3/c1-16-11-12-17-14-18(23(27)30-22(17)13-16)15-28-32-26(35)25(34)31-21-10-6-5-9-20(21)24(33)29-19-7-3-2-4-8-19/h2-15H,1H3,(H,29,33)(H,31,34)(H,32,35)/b28-15+

InChIKey

QVXXVTRTAXPVPN-RWPZCVJISA-N

Compound name

N'-[(E)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-N-[2-(phenylcarbamoyl)phenyl]oxamide

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]+	486.132736	214.9
[M+Na]+	508.114678	220.0
[M-H]-	484.118184	224.9
[M+NH4]+	503.159283	221.4
[M+K]+	524.088618	213.9
[M+H-H2O]+	468.122720	203.5
[M+HCOO]-	530.123661	234.0
[M+CH3COO]-	544.139311	247.9
[M+Na-2H]-	506.100126	218.8
[M]+	485.12491142	217.4
[M]-	485.12600858	217.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

486.132736

214.9

[M+Na]+

508.114678

220.0

[M-H]-

484.118184

224.9

[M+NH4]+

503.159283

221.4

[M+K]+

524.088618

213.9

[M+H-H2O]+

468.122720

203.5

[M+HCOO]-

530.123661

234.0

[M+CH3COO]-

544.139311

247.9

[M+Na-2H]-

506.100126

218.8

[M]+

485.12491142

217.4

[M]-

485.12600858

217.4

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

765909-83-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe