CID 2738035

Pyrimido(4,5-d)pyrimidine-2,4(1h,3h)-dione, 5,6,7,8-tetrahydro-1,3,6-trimethyl-

Structural Information

Molecular Formula
C9H14N4O2
SMILES
CN1CC2=C(NC1)N(C(=O)N(C2=O)C)C
InChI
InChI=1S/C9H14N4O2/c1-11-4-6-7(10-5-11)12(2)9(15)13(3)8(6)14/h10H,4-5H2,1-3H3
InChIKey
YLKLVAKFSMXHBG-UHFFFAOYSA-N
Compound name
1,3,6-trimethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

210.11168 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.11896 147.5
[M+Na]+ 233.10090 161.0
[M+NH4]+ 228.14550 153.4
[M+K]+ 249.07484 155.8
[M-H]- 209.10440 146.5
[M+Na-2H]- 231.08635 150.8
[M]+ 210.11113 148.8
[M]- 210.11223 148.8
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

No patent data available for this compound.