Furopyridine derivative 1 (C28H22Cl2N4O5)

Structural Information

Molecular Formula

SMILES

CC(C)(C)C(=O)C1=C(C2=CC(=C(N=C2O1)C3=C(C=C(C=C3)C4=NOC=N4)Cl)C5=CC=C(C=C5)Cl)NC(=O)CO

InChI

InChI=1S/C28H22Cl2N4O5/c1-28(2,3)25(37)24-23(32-21(36)12-35)19-11-18(14-4-7-16(29)8-5-14)22(33-27(19)39-24)17-9-6-15(10-20(17)30)26-31-13-38-34-26/h4-11,13,35H,12H2,1-3H3,(H,32,36)

InChIKey

SPKFHHXBXRKREW-UHFFFAOYSA-N

Compound name

N-[6-[2-chloro-4-(1,2,4-oxadiazol-3-yl)phenyl]-5-(4-chlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]-2-hydroxyacetamide

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]+	565.104016	234.6
[M+Na]+	587.085958	244.3
[M-H]-	563.089464	246.1
[M+NH4]+	582.130563	237.1
[M+K]+	603.059898	240.0
[M+H-H2O]+	547.094000	224.9
[M+HCOO]-	609.094941	240.5
[M+CH3COO]-	623.110591	241.9
[M+Na-2H]-	585.071406	231.8
[M]+	564.09619142	245.5
[M]-	564.09728858	245.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

565.104016

234.6

[M+Na]+

587.085958

244.3

[M-H]-

563.089464

246.1

[M+NH4]+

582.130563

237.1

[M+K]+

603.059898

240.0

[M+H-H2O]+

547.094000

224.9

[M+HCOO]-

609.094941

240.5

[M+CH3COO]-

623.110591

241.9

[M+Na-2H]-

585.071406

231.8

[M]+

564.09619142

245.5

[M]-

564.09728858

245.5

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

Furopyridine derivative 1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe