PubChemLite - Pyrazolo[1,5-a]pyrimidine-3-carboxamide, 7-cyclohexyl-6-(4-fluorophenyl)-n-[(trifluoromethyl)sulfonyl]- (C20H18F4N4O3S)

Structural Information

Molecular Formula

SMILES

C1CCC(CC1)C2=C(C=NC3=C(C=NN23)C(=O)NS(=O)(=O)C(F)(F)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H18F4N4O3S/c21-14-8-6-12(7-9-14)15-10-25-18-16(19(29)27-32(30,31)20(22,23)24)11-26-28(18)17(15)13-4-2-1-3-5-13/h6-11,13H,1-5H2,(H,27,29)

InChIKey

CQJQUEYGXLWPGS-UHFFFAOYSA-N

Compound name

7-cyclohexyl-6-(4-fluorophenyl)-N-(trifluoromethylsulfonyl)pyrazolo[1,5-a]pyrimidine-3-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]+	471.11086	204.9
[M+Na]+	493.09280	213.3
[M-H]-	469.09630	206.8
[M+NH4]+	488.13740	211.5
[M+K]+	509.06674	206.2
[M+H-H2O]+	453.10084	192.4
[M+HCOO]-	515.10178	211.1
[M+CH3COO]-	529.11743	230.5
[M+Na-2H]-	491.07825	205.5
[M]+	470.10303	201.5
[M]-	470.10413	201.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

471.11086

204.9

[M+Na]+

493.09280

213.3

[M-H]-

469.09630

206.8

[M+NH4]+

488.13740

211.5

[M+K]+

509.06674

206.2

[M+H-H2O]+

453.10084

192.4

[M+HCOO]-

515.10178

211.1

[M+CH3COO]-

529.11743

230.5

[M+Na-2H]-

491.07825

205.5

[M]+

470.10303

201.5

[M]-

470.10413

201.5

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

Pyrazolo[1,5-a]pyrimidine-3-carboxamide, 7-cyclohexyl-6-(4-fluorophenyl)-n-[(trifluoromethyl)sulfonyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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