PubChemLite - Pf-07293893 (C26H23ClF4N6O2)

Structural Information

Molecular Formula

SMILES

C[C@@]1(CN(C(=O)C2=CN=C(C(=C21)F)NC3CN(C3)C(=O)[C@@H]4C[C@@H]4F)C5=NN(C=C5F)C)C6=C(C(=CC=C6)Cl)F

InChI

InChI=1S/C26H23ClF4N6O2/c1-26(15-4-3-5-16(27)20(15)30)11-37(23-18(29)10-35(2)34-23)25(39)14-7-32-22(21(31)19(14)26)33-12-8-36(9-12)24(38)13-6-17(13)28/h3-5,7,10,12-13,17H,6,8-9,11H2,1-2H3,(H,32,33)/t13-,17+,26-/m1/s1

InChIKey

KAVAKXWBLXYMNG-FRUQJNMISA-N

Compound name

(4R)-4-(3-chloro-2-fluorophenyl)-5-fluoro-6-[[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]amino]-2-(4-fluoro-1-methylpyrazol-3-yl)-4-methyl-3H-2,7-naphthyridin-1-one

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]+	563.15798	235.9
[M+Na]+	585.13992	246.8
[M-H]-	561.14342	240.5
[M+NH4]+	580.18452	229.1
[M+K]+	601.11386	238.5
[M+H-H2O]+	545.14796	216.7
[M+HCOO]-	607.14890	238.7
[M+CH3COO]-	621.16455	239.5
[M+Na-2H]-	583.12537	226.8
[M]+	562.15015	244.3
[M]-	562.15125	244.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

563.15798

235.9

[M+Na]+

585.13992

246.8

[M-H]-

561.14342

240.5

[M+NH4]+

580.18452

229.1

[M+K]+

601.11386

238.5

[M+H-H2O]+

545.14796

216.7

[M+HCOO]-

607.14890

238.7

[M+CH3COO]-

621.16455

239.5

[M+Na-2H]-

583.12537

226.8

[M]+

562.15015

244.3

[M]-

562.15125

244.3

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

Pf-07293893

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe