CID 146678041

Xhrdzjhmdzcqrn-uhfffaoysa-n

Structural Information

Molecular Formula

C₁₆H₂₀F₃N₃O₃S

SMILES

CC(C)CC(C)C1(C(=CC(=O)S1)NC(=O)C2=CN(N=C2C(F)(F)F)C)O

InChI

InChI=1S/C16H20F3N3O3S/c1-8(2)5-9(3)15(25)11(6-12(23)26-15)20-14(24)10-7-22(4)21-13(10)16(17,18)19/h6-9,25H,5H2,1-4H3,(H,20,24)

InChIKey

XHRDZJHMDZCQRN-UHFFFAOYSA-N

Compound name

N-[2-hydroxy-2-(4-methylpentan-2-yl)-5-oxothiophen-3-yl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 0
Patents: 391.11774 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

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]+	392.125016	184.0
[M+Na]+	414.106958	191.5
[M-H]-	390.110464	184.0
[M+NH4]+	409.151563	198.3
[M+K]+	430.080898	188.2
[M+H-H2O]+	374.115000	176.6
[M+HCOO]-	436.115941	193.1
[M+CH3COO]-	450.131591	218.2
[M+Na-2H]-	412.092406	178.9
[M]+	391.11719142	184.2
[M]-	391.11828858	184.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.