CID 24903600

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

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.02722 133.1
[M+Na]+ 206.00916 147.4
[M-H]- 182.01266 135.4
[M+NH4]+ 201.05376 152.2
[M+K]+ 221.98310 144.4
[M+H-H2O]+ 166.01720 126.3
[M+HCOO]- 228.01814 150.8
[M+CH3COO]- 242.03379 148.1
[M+Na-2H]- 203.99461 141.5
[M]+ 183.01939 139.6
[M]- 183.02049 139.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.