CID 3048966

Brn 1124565

Structural Information

Molecular Formula
C11H16N4O2
SMILES
CN1C2=C(CN(CN2)CC=C)C(=O)N(C1=O)C
InChI
InChI=1S/C11H16N4O2/c1-4-5-15-6-8-9(12-7-15)13(2)11(17)14(3)10(8)16/h4,12H,1,5-7H2,2-3H3
InChIKey
OYXMLLMDRSCTIZ-UHFFFAOYSA-N
Compound name
1,3-dimethyl-6-prop-2-enyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.12732 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.13460 155.3
[M+Na]+ 259.11654 168.5
[M+NH4]+ 254.16114 160.6
[M+K]+ 275.09048 162.8
[M-H]- 235.12004 154.0
[M+Na-2H]- 257.10199 158.1
[M]+ 236.12677 156.5
[M]- 236.12787 156.5
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.