PubChemLite - Pf-07265807 (C29H27F2N7O5)

Structural Information

Molecular Formula

SMILES

C[C@H](CO)NC1=NNC2=NC=CC(=C21)OC3=C(C=C(C=C3)NC(=O)C4=CN(C(=O)N(C4=O)C5=CC=C(C=C5)F)C(C)C)F

InChI

InChI=1S/C29H27F2N7O5/c1-15(2)37-13-20(28(41)38(29(37)42)19-7-4-17(30)5-8-19)27(40)34-18-6-9-22(21(31)12-18)43-23-10-11-32-25-24(23)26(36-35-25)33-16(3)14-39/h4-13,15-16,39H,14H2,1-3H3,(H,34,40)(H2,32,33,35,36)/t16-/m1/s1

InChIKey

ILVXQVHFMCJXTE-MRXNPFEDSA-N

Compound name

N-[3-fluoro-4-[[3-[[(2R)-1-hydroxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-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]+	592.21144	238.2
[M+Na]+	614.19338	245.7
[M-H]-	590.19688	242.9
[M+NH4]+	609.23798	234.8
[M+K]+	630.16732	238.1
[M+H-H2O]+	574.20142	223.6
[M+HCOO]-	636.20236	249.6
[M+CH3COO]-	650.21801	242.2
[M+Na-2H]-	612.17883	235.6
[M]+	591.20361	240.3
[M]-	591.20471	240.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

592.21144

238.2

[M+Na]+

614.19338

245.7

[M-H]-

590.19688

242.9

[M+NH4]+

609.23798

234.8

[M+K]+

630.16732

238.1

[M+H-H2O]+

574.20142

223.6

[M+HCOO]-

636.20236

249.6

[M+CH3COO]-

650.21801

242.2

[M+Na-2H]-

612.17883

235.6

[M]+

591.20361

240.3

[M]-

591.20471

240.3

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

Pf-07265807

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe