PubChemLite - Pyrazolo[1,5-a]pyrimidine-2-carboxamide, 6-cyclohexyl-5-(2-furanyl)-4,7-dihydro-7-oxo-n-[(trifluoromethyl)sulfonyl]- (C18H17F3N4O5S)

Structural Information

Molecular Formula

SMILES

C1CCC(CC1)C2=C(N=C3C=C(NN3C2=O)C(=O)NS(=O)(=O)C(F)(F)F)C4=CC=CO4

InChI

InChI=1S/C18H17F3N4O5S/c19-18(20,21)31(28,29)24-16(26)11-9-13-22-15(12-7-4-8-30-12)14(17(27)25(13)23-11)10-5-2-1-3-6-10/h4,7-10,23H,1-3,5-6H2,(H,24,26)

InChIKey

MSTFLCUFVGYNEO-UHFFFAOYSA-N

Compound name

6-cyclohexyl-5-(furan-2-yl)-7-oxo-N-(trifluoromethylsulfonyl)-1H-pyrazolo[1,5-a]pyrimidine-2-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]+	459.09448	198.9
[M+Na]+	481.07642	207.5
[M-H]-	457.07992	202.7
[M+NH4]+	476.12102	206.2
[M+K]+	497.05036	203.2
[M+H-H2O]+	441.08446	190.0
[M+HCOO]-	503.08540	206.4
[M+CH3COO]-	517.10105	224.1
[M+Na-2H]-	479.06187	199.3
[M]+	458.08665	198.0
[M]-	458.08775	198.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

459.09448

198.9

[M+Na]+

481.07642

207.5

[M-H]-

457.07992

202.7

[M+NH4]+

476.12102

206.2

[M+K]+

497.05036

203.2

[M+H-H2O]+

441.08446

190.0

[M+HCOO]-

503.08540

206.4

[M+CH3COO]-

517.10105

224.1

[M+Na-2H]-

479.06187

199.3

[M]+

458.08665

198.0

[M]-

458.08775

198.0

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-2-carboxamide, 6-cyclohexyl-5-(2-furanyl)-4,7-dihydro-7-oxo-n-[(trifluoromethyl)sulfonyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe