CID 15260211

4-chloro-3-methylisoxazolo[5,4-d]pyrimidine

Structural Information

Molecular Formula

C₆H₄ClN₃O

SMILES

CC1=NOC2=C1C(=NC=N2)Cl

InChI

InChI=1S/C6H4ClN3O/c1-3-4-5(7)8-2-9-6(4)11-10-3/h2H,1H3

InChIKey

OWGFMVBNTYVMEO-UHFFFAOYSA-N

Compound name

4-chloro-3-methyl-[1,2]oxazolo[5,4-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 169.00429 Da
Monoisotopic Mass: 1.7
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]+	170.01157	127.7
[M+Na]+	191.99351	144.0
[M+NH4]+	187.03811	136.5
[M+K]+	207.96745	139.2
[M-H]-	167.99701	129.9
[M+Na-2H]-	189.97896	135.0
[M]+	169.00374	131.0
[M]-	169.00484	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe