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 148.3
[M+Na]+ 233.10090 160.0
[M-H]- 209.10440 146.9
[M+NH4]+ 228.14550 163.0
[M+K]+ 249.07484 155.7
[M+H-H2O]+ 193.10894 140.4
[M+HCOO]- 255.10988 163.6
[M+CH3COO]- 269.12553 186.8
[M+Na-2H]- 231.08635 153.2
[M]+ 210.11113 147.8
[M]- 210.11223 147.8
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.