PubChemLite - Bms-777607 (C25H19ClF2N4O4)

Structural Information

Molecular Formula

SMILES

CCOC1=C(C(=O)N(C=C1)C2=CC=C(C=C2)F)C(=O)NC3=CC(=C(C=C3)OC4=C(C(=NC=C4)N)Cl)F

InChI

InChI=1S/C25H19ClF2N4O4/c1-2-35-19-10-12-32(16-6-3-14(27)4-7-16)25(34)21(19)24(33)31-15-5-8-18(17(28)13-15)36-20-9-11-30-23(29)22(20)26/h3-13H,2H2,1H3,(H2,29,30)(H,31,33)

InChIKey

VNBRGSXVFBYQNN-UHFFFAOYSA-N

Compound name

N-[4-(2-amino-3-chloropyridin-4-yl)oxy-3-fluorophenyl]-4-ethoxy-1-(4-fluorophenyl)-2-oxopyridine-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]+	513.11354	221.4
[M+Na]+	535.09548	231.2
[M-H]-	511.09898	229.4
[M+NH4]+	530.14008	224.7
[M+K]+	551.06942	223.5
[M+H-H2O]+	495.10352	206.8
[M+HCOO]-	557.10446	236.1
[M+CH3COO]-	571.12011	247.5
[M+Na-2H]-	533.08093	220.2
[M]+	512.10571	224.8
[M]-	512.10681	224.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

513.11354

221.4

[M+Na]+

535.09548

231.2

[M-H]-

511.09898

229.4

[M+NH4]+

530.14008

224.7

[M+K]+

551.06942

223.5

[M+H-H2O]+

495.10352

206.8

[M+HCOO]-

557.10446

236.1

[M+CH3COO]-

571.12011

247.5

[M+Na-2H]-

533.08093

220.2

[M]+

512.10571

224.8

[M]-

512.10681

224.8

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

Bms-777607

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe