CID 113564524

1770954-26-1

Structural Information

Molecular Formula

C₁₂H₁₄N₄O₃

SMILES

CC(C)C1=NC=C(C(=N1)C(=O)O)OC2=CN(N=C2)C

InChI

InChI=1S/C12H14N4O3/c1-7(2)11-13-5-9(10(15-11)12(17)18)19-8-4-14-16(3)6-8/h4-7H,1-3H3,(H,17,18)

InChIKey

TUYHVNCMGOJEOV-UHFFFAOYSA-N

Compound name

5-(1-methylpyrazol-4-yl)oxy-2-propan-2-ylpyrimidine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 262.1066 Da
Monoisotopic Mass: 1.1
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]+	263.113876	158.2
[M+Na]+	285.095818	167.4
[M-H]-	261.099324	159.4
[M+NH4]+	280.140423	170.7
[M+K]+	301.069758	164.7
[M+H-H2O]+	245.103860	149.1
[M+HCOO]-	307.104801	176.0
[M+CH3COO]-	321.120451	195.1
[M+Na-2H]-	283.081266	159.8
[M]+	262.10605142	161.1
[M]-	262.10714858	161.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.