CID 3242

Epirizole

Structural Information

Molecular Formula

C₁₁H₁₄N₄O₂

SMILES

CC1=CC(=NC(=N1)N2C(=CC(=N2)C)OC)OC

InChI

InChI=1S/C11H14N4O2/c1-7-5-9(16-3)13-11(12-7)15-10(17-4)6-8(2)14-15/h5-6H,1-4H3

InChIKey

RHAXSHUQNIEUEY-UHFFFAOYSA-N

Compound name

4-methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methylpyrimidine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 96
References: 9753
Patents: 234.11168 Da
Monoisotopic Mass: 1.3
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]+	235.11896	152.8
[M+Na]+	257.10090	166.9
[M+NH4]+	252.14550	159.1
[M+K]+	273.07484	163.2
[M-H]-	233.10440	153.9
[M+Na-2H]-	255.08635	159.6
[M]+	234.11113	155.0
[M]-	234.11223	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe