PubChemLite - Ly2090314 (C28H25FN6O3)

Structural Information

Molecular Formula

SMILES

C1CCN(CC1)C(=O)N2CCN3C=C(C4=CC(=CC(=C43)C2)F)C5=C(C(=O)NC5=O)C6=CN=C7N6C=CC=C7

InChI

InChI=1S/C28H25FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37)

InChIKey

HRJWTAWVFDCTGO-UHFFFAOYSA-N

Compound name

3-[6-fluoro-10-(piperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione

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]+	513.20448	222.4
[M+Na]+	535.18642	233.0
[M+NH4]+	530.23102	226.1
[M+K]+	551.16036	233.0
[M-H]-	511.18992	224.4
[M+Na-2H]-	533.17187	224.3
[M]+	512.19665	224.2
[M]-	512.19775	224.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

513.20448

222.4

[M+Na]+

535.18642

233.0

[M+NH4]+

530.23102

226.1

[M+K]+

551.16036

233.0

[M-H]-

511.18992

224.4

[M+Na-2H]-

533.17187

224.3

[M]+

512.19665

224.2

[M]-

512.19775

224.2

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

Ly2090314

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe