PubChemLite - Pf-06263276 (C31H31FN8O2)

Structural Information

Molecular Formula

SMILES

CCC1=CC(=C(C=C1C2=CC3=C(C=C2)C(=NN3)C4=NC5=C(N4)CN(CC5)C(=O)C6=CN=C(C=N6)N7CCCCC7)F)O

InChI

InChI=1S/C31H31FN8O2/c1-2-18-13-27(41)22(32)14-21(18)19-6-7-20-24(12-19)37-38-29(20)30-35-23-8-11-40(17-26(23)36-30)31(42)25-15-34-28(16-33-25)39-9-4-3-5-10-39/h6-7,12-16,41H,2-5,8-11,17H2,1H3,(H,35,36)(H,37,38)

InChIKey

XDJGNPSZQSWJCV-UHFFFAOYSA-N

Compound name

[2-[6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-indazol-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-piperidin-1-ylpyrazin-2-yl)methanone

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]+	567.26268	234.3
[M+Na]+	589.24462	239.9
[M-H]-	565.24812	237.7
[M+NH4]+	584.28922	230.1
[M+K]+	605.21856	227.9
[M+H-H2O]+	549.25266	218.9
[M+HCOO]-	611.25360	234.7
[M+CH3COO]-	625.26925	235.7
[M+Na-2H]-	587.23007	226.8
[M]+	566.25485	227.5
[M]-	566.25595	227.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

567.26268

234.3

[M+Na]+

589.24462

239.9

[M-H]-

565.24812

237.7

[M+NH4]+

584.28922

230.1

[M+K]+

605.21856

227.9

[M+H-H2O]+

549.25266

218.9

[M+HCOO]-

611.25360

234.7

[M+CH3COO]-

625.26925

235.7

[M+Na-2H]-

587.23007

226.8

[M]+

566.25485

227.5

[M]-

566.25595

227.5

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

Pf-06263276

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe