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]+ 211.118956 148.3
[M+Na]+ 233.100898 160.0
[M-H]- 209.104404 146.9
[M+NH4]+ 228.145503 163.0
[M+K]+ 249.074838 155.7
[M+H-H2O]+ 193.108940 140.4
[M+HCOO]- 255.109881 163.6
[M+CH3COO]- 269.125531 186.8
[M+Na-2H]- 231.086346 153.2
[M]+ 210.11113142 147.8
[M]- 210.11222858 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.