CID 54776351

1269461-25-7

Structural Information

Molecular Formula

C₇H₆Cl₂N₂O

SMILES

C1COCC2=C1C(=NC(=N2)Cl)Cl

InChI

InChI=1S/C7H6Cl2N2O/c8-6-4-1-2-12-3-5(4)10-7(9)11-6/h1-3H2

InChIKey

BDNFHGOSDKHGLO-UHFFFAOYSA-N

Compound name

2,4-dichloro-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 203.98572 Da
Monoisotopic Mass: 1.8
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]+	204.992996	136.1
[M+Na]+	226.974938	146.5
[M-H]-	202.978444	137.5
[M+NH4]+	222.019543	153.6
[M+K]+	242.948878	143.1
[M+H-H2O]+	186.982980	129.8
[M+HCOO]-	248.983921	145.0
[M+CH3COO]-	262.999571	148.7
[M+Na-2H]-	224.960386	144.4
[M]+	203.98517142	137.7
[M]-	203.98626858	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe