CID 100470

65183-48-4

Structural Information

Molecular Formula
C8H9N3O3
SMILES
CC1=C2C(=NO1)N(C(=O)N(C2=O)C)C
InChI
InChI=1S/C8H9N3O3/c1-4-5-6(9-14-4)10(2)8(13)11(3)7(5)12/h1-3H3
InChIKey
DBXBAZLSFXNRSF-UHFFFAOYSA-N
Compound name
3,5,7-trimethyl-[1,2]oxazolo[3,4-d]pyrimidine-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

195.06439 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07167 135.8
[M+Na]+ 218.05361 151.3
[M-H]- 194.05711 139.3
[M+NH4]+ 213.09821 154.1
[M+K]+ 234.02755 149.5
[M+H-H2O]+ 178.06165 129.2
[M+HCOO]- 240.06259 158.8
[M+CH3COO]- 254.07824 184.4
[M+Na-2H]- 216.03906 142.9
[M]+ 195.06384 143.4
[M]- 195.06494 143.4
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