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]+ 239.077476 149.1
[M+Na]+ 261.059418 164.7
[M-H]- 237.062924 149.3
[M+NH4]+ 256.104023 163.0
[M+K]+ 277.033358 159.9
[M+H-H2O]+ 221.067460 141.5
[M+HCOO]- 283.068401 167.8
[M+CH3COO]- 297.084051 191.9
[M+Na-2H]- 259.044866 154.6
[M]+ 238.06965142 153.6
[M]- 238.07074858 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.