CID 24903600

1044771-34-7

Structural Information

Molecular Formula

C₇H₆ClN₃O

SMILES

CC1=NC2=C(C(=N1)Cl)OC(=N2)C

InChI

InChI=1S/C7H6ClN3O/c1-3-9-6(8)5-7(10-3)11-4(2)12-5/h1-2H3

InChIKey

BVKGIKAAUBGIDY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.01994 Da
Monoisotopic Mass: 2.1
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]+	184.027216	133.1
[M+Na]+	206.009158	147.4
[M-H]-	182.012664	135.4
[M+NH4]+	201.053763	152.2
[M+K]+	221.983098	144.4
[M+H-H2O]+	166.017200	126.3
[M+HCOO]-	228.018141	150.8
[M+CH3COO]-	242.033791	148.1
[M+Na-2H]-	203.994606	141.5
[M]+	183.01939142	139.6
[M]-	183.02048858	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.