CID 2785556

65183-57-5

Structural Information

Molecular Formula
C7H7N3O3
SMILES
CN1C2=NOC=C2C(=O)N(C1=O)C
InChI
InChI=1S/C7H7N3O3/c1-9-5-4(3-13-8-5)6(11)10(2)7(9)12/h3H,1-2H3
InChIKey
HJCQDTMYZOEGEO-UHFFFAOYSA-N
Compound name
5,7-dimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

181.04874 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.05602 131.1
[M+Na]+ 204.03796 146.1
[M-H]- 180.04146 134.3
[M+NH4]+ 199.08256 149.7
[M+K]+ 220.01190 144.5
[M+H-H2O]+ 164.04600 124.4
[M+HCOO]- 226.04694 154.4
[M+CH3COO]- 240.06259 180.1
[M+Na-2H]- 202.02341 139.4
[M]+ 181.04819 137.9
[M]- 181.04929 137.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe