PubChemLite - Chembl200515 (C24H19Cl2N3O4)

Structural Information

Molecular Formula

SMILES

CC1=NC=C(C2=C1OC(=NC3=CC(=C(C=C3)Cl)Cl)C(=C2)C(=O)NC4=CC=C(C=C4)OC)CO

InChI

InChI=1S/C24H19Cl2N3O4/c1-13-22-18(14(12-30)11-27-13)10-19(23(31)28-15-3-6-17(32-2)7-4-15)24(33-22)29-16-5-8-20(25)21(26)9-16/h3-11,30H,12H2,1-2H3,(H,28,31)

InChIKey

UWDUDKMAHWPECS-UHFFFAOYSA-N

Compound name

2-(3,4-dichlorophenyl)imino-5-(hydroxymethyl)-N-(4-methoxyphenyl)-8-methylpyrano[2,3-c]pyridine-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]+	484.08254	215.1
[M+Na]+	506.06448	225.3
[M-H]-	482.06798	225.0
[M+NH4]+	501.10908	222.1
[M+K]+	522.03842	219.5
[M+H-H2O]+	466.07252	204.8
[M+HCOO]-	528.07346	226.9
[M+CH3COO]-	542.08911	223.9
[M+Na-2H]-	504.04993	217.4
[M]+	483.07471	223.8
[M]-	483.07581	223.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

484.08254

215.1

[M+Na]+

506.06448

225.3

[M-H]-

482.06798

225.0

[M+NH4]+

501.10908

222.1

[M+K]+

522.03842

219.5

[M+H-H2O]+

466.07252

204.8

[M+HCOO]-

528.07346

226.9

[M+CH3COO]-

542.08911

223.9

[M+Na-2H]-

504.04993

217.4

[M]+

483.07471

223.8

[M]-

483.07581

223.8

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

Chembl200515

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe