CID 4092364

187998-66-9

Structural Information

Molecular Formula

C₁₄H₁₆N₂O₃

SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)OC)C

InChI

InChI=1S/C14H16N2O3/c1-4-19-14(17)13-9-15-16(10(13)2)11-5-7-12(18-3)8-6-11/h5-9H,4H2,1-3H3

InChIKey

APRSCISRACOKII-UHFFFAOYSA-N

Compound name

ethyl 1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 260.1161 Da
Monoisotopic Mass: 2.5
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]+	261.12338	159.5
[M+Na]+	283.10532	172.3
[M+NH4]+	278.14992	166.0
[M+K]+	299.07926	168.4
[M-H]-	259.10882	161.2
[M+Na-2H]-	281.09077	165.8
[M]+	260.11555	161.6
[M]-	260.11665	161.6

Literature stripe

literature stripe

Patent stripe

patents stripe