CID 3049074

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

Structural Information

Molecular Formula
C9H10N4O4
SMILES
CN1C2=C(C(=O)N(C(=O)N2)C)C(=O)N(C1=O)C
InChI
InChI=1S/C9H10N4O4/c1-11-5-4(7(15)13(3)9(11)17)6(14)12(2)8(16)10-5/h1-3H3,(H,10,16)
InChIKey
DMCIQFIQKFYWRY-UHFFFAOYSA-N
Compound name
1,3,6-trimethyl-8H-pyrimido[4,5-d]pyrimidine-2,4,5,7-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.0702 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.07748 149.1
[M+Na]+ 261.05942 164.7
[M-H]- 237.06292 149.3
[M+NH4]+ 256.10402 163.0
[M+K]+ 277.03336 159.9
[M+H-H2O]+ 221.06746 141.5
[M+HCOO]- 283.06840 167.8
[M+CH3COO]- 297.08405 191.9
[M+Na-2H]- 259.04487 154.6
[M]+ 238.06965 153.6
[M]- 238.07075 153.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.