CID 211219

Brn 0886663

Structural Information

Molecular Formula

C₁₁H₁₄N₄O₂

SMILES

CC1=NN(C(=C1)OC)C2=CC(=NC(=N2)C)OC

InChI

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

InChIKey

RHDYJQYFJSGSMM-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 234.11168 Da
Monoisotopic Mass: 1.9
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]+	235.118956	152.0
[M+Na]+	257.100898	163.5
[M-H]-	233.104404	154.6
[M+NH4]+	252.145503	166.9
[M+K]+	273.074838	160.7
[M+H-H2O]+	217.108940	142.7
[M+HCOO]-	279.109881	173.1
[M+CH3COO]-	293.125531	192.7
[M+Na-2H]-	255.086346	155.9
[M]+	234.11113142	157.2
[M]-	234.11222858	157.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.