CID 86207930

1443279-63-7

Structural Information

Molecular Formula

C₁₄H₁₀FN₃O₂

SMILES

CC1=C2N=C(C=C(N2N=C1)C(=O)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C14H10FN3O2/c1-8-7-16-18-12(14(19)20)6-11(17-13(8)18)9-2-4-10(15)5-3-9/h2-7H,1H3,(H,19,20)

InChIKey

VGWUTVJTINQEMI-UHFFFAOYSA-N

Compound name

5-(4-fluorophenyl)-3-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 271.0757 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]+	272.082976	158.5
[M+Na]+	294.064918	170.6
[M-H]-	270.068424	161.1
[M+NH4]+	289.109523	173.2
[M+K]+	310.038858	164.9
[M+H-H2O]+	254.072960	149.0
[M+HCOO]-	316.073901	177.8
[M+CH3COO]-	330.089551	170.6
[M+Na-2H]-	292.050366	162.7
[M]+	271.07515142	160.3
[M]-	271.07624858	160.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.