PubChemLite - 8-(2-anilinopyrimidin-4-yl)-n-cyclopentyl-7-(4-fluorophenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine (C26H23FN8)

Structural Information

Molecular Formula

SMILES

C1CCC(C1)NC2=NC=NC3=C(C(=NN32)C4=CC=C(C=C4)F)C5=NC(=NC=C5)NC6=CC=CC=C6

InChI

InChI=1S/C26H23FN8/c27-18-12-10-17(11-13-18)23-22(21-14-15-28-25(33-21)31-19-6-2-1-3-7-19)24-29-16-30-26(35(24)34-23)32-20-8-4-5-9-20/h1-3,6-7,10-16,20H,4-5,8-9H2,(H,28,31,33)(H,29,30,32)

InChIKey

QXEFHRHXIREYGF-UHFFFAOYSA-N

Compound name

8-(2-anilinopyrimidin-4-yl)-N-cyclopentyl-7-(4-fluorophenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine

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]+	467.21025	203.8
[M+Na]+	489.19219	211.3
[M-H]-	465.19569	212.5
[M+NH4]+	484.23679	206.7
[M+K]+	505.16613	201.0
[M+H-H2O]+	449.20023	188.2
[M+HCOO]-	511.20117	220.0
[M+CH3COO]-	525.21682	210.5
[M+Na-2H]-	487.17764	205.8
[M]+	466.20242	201.1
[M]-	466.20352	201.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

467.21025

203.8

[M+Na]+

489.19219

211.3

[M-H]-

465.19569

212.5

[M+NH4]+

484.23679

206.7

[M+K]+

505.16613

201.0

[M+H-H2O]+

449.20023

188.2

[M+HCOO]-

511.20117

220.0

[M+CH3COO]-

525.21682

210.5

[M+Na-2H]-

487.17764

205.8

[M]+

466.20242

201.1

[M]-

466.20352

201.1

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

8-(2-anilinopyrimidin-4-yl)-n-cyclopentyl-7-(4-fluorophenyl)pyrazolo[1,5-a][1,3,5]triazin-4-amine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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