CID 17019798

834896-55-8

Structural Information

Molecular Formula

C₁₃H₁₀F₃N₃O

SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CO3)C(F)(F)F)C

InChI

InChI=1S/C13H10F3N3O/c1-7-11-8(13(14,15)16)6-9(10-4-3-5-20-10)17-12(11)19(2)18-7/h3-6H,1-2H3

InChIKey

OTLZOWXVBUSXRP-UHFFFAOYSA-N

Compound name

6-(furan-2-yl)-1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 281.0776 Da
Monoisotopic Mass: 2.9
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]+	282.084876	158.6
[M+Na]+	304.066818	172.3
[M-H]-	280.070324	161.2
[M+NH4]+	299.111423	174.6
[M+K]+	320.040758	168.3
[M+H-H2O]+	264.074860	148.9
[M+HCOO]-	326.075801	176.6
[M+CH3COO]-	340.091451	171.5
[M+Na-2H]-	302.052266	162.0
[M]+	281.07705142	160.6
[M]-	281.07814858	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.