CID 87753

Dulcerozine

Structural Information

Molecular Formula

C₁₀H₁₂N₄O₂

SMILES

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

InChI

InChI=1S/C10H12N4O2/c1-7-4-10(16-3)14(13-7)8-5-9(15-2)12-6-11-8/h4-6H,1-3H3

InChIKey

KIJMVZOSUXIDEI-UHFFFAOYSA-N

Compound name

4-methoxy-6-(5-methoxy-3-methylpyrazol-1-yl)pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 11
References: 5
Patents: 220.09602 Da
Monoisotopic Mass: 1.5
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]+	221.10330	148.1
[M+Na]+	243.08524	162.0
[M+NH4]+	238.12984	154.5
[M+K]+	259.05918	158.3
[M-H]-	219.08874	149.1
[M+Na-2H]-	241.07069	155.4
[M]+	220.09547	150.2
[M]-	220.09657	150.2

Literature stripe

literature stripe

Patent stripe

patents stripe