CID 4774630

679830-09-2

Structural Information

Molecular Formula

C₁₄H₁₁N₃O₃

SMILES

COC1=CC=C(C=C1)C2=CC=NC3=CC(=NN23)C(=O)O

InChI

InChI=1S/C14H11N3O3/c1-20-10-4-2-9(3-5-10)12-6-7-15-13-8-11(14(18)19)16-17(12)13/h2-8H,1H3,(H,18,19)

InChIKey

YVQIVWLVEPIYJL-UHFFFAOYSA-N

Compound name

7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 0
Patents: 269.08005 Da
Monoisotopic Mass: 1.8
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]+	270.087326	158.3
[M+Na]+	292.069268	169.2
[M-H]-	268.072774	162.0
[M+NH4]+	287.113873	172.8
[M+K]+	308.043208	164.8
[M+H-H2O]+	252.077310	149.4
[M+HCOO]-	314.078251	178.9
[M+CH3COO]-	328.093901	170.6
[M+Na-2H]-	290.054716	163.9
[M]+	269.07950142	162.1
[M]-	269.08059858	162.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.