CID 2377173

381214-37-5

Structural Information

Molecular Formula

C₁₇H₁₄N₂O₃

SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C17H14N2O3/c1-22-14-9-5-6-12(10-14)16-15(17(20)21)11-19(18-16)13-7-3-2-4-8-13/h2-11H,1H3,(H,20,21)

InChIKey

YUDUFBFUQOJLGG-UHFFFAOYSA-N

Compound name

3-(3-methoxyphenyl)-1-phenylpyrazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 4
Patents: 294.10043 Da
Monoisotopic Mass: 3.1
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]+	295.10771	167.9
[M+Na]+	317.08965	182.5
[M+NH4]+	312.13425	174.8
[M+K]+	333.06359	177.7
[M-H]-	293.09315	171.9
[M+Na-2H]-	315.07510	177.0
[M]+	294.09988	171.1
[M]-	294.10098	171.1

Literature stripe

literature stripe

Patent stripe

patents stripe