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: 4
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]+	221.103296	147.2
[M+Na]+	243.085238	158.2
[M-H]-	219.088744	149.6
[M+NH4]+	238.129843	162.4
[M+K]+	259.059178	155.8
[M+H-H2O]+	203.093280	137.8
[M+HCOO]-	265.094221	168.7
[M+CH3COO]-	279.109871	188.6
[M+Na-2H]-	241.070686	152.4
[M]+	220.09547142	151.7
[M]-	220.09656858	151.7

Literature stripe

literature stripe

Patent stripe

patents stripe