CID 3048967

Brn 1138396

Structural Information

Molecular Formula
C14H16N4O2
SMILES
CN1C2=C(CN(CN2)C3=CC=CC=C3)C(=O)N(C1=O)C
InChI
InChI=1S/C14H16N4O2/c1-16-12-11(13(19)17(2)14(16)20)8-18(9-15-12)10-6-4-3-5-7-10/h3-7,15H,8-9H2,1-2H3
InChIKey
IABWQSLPBSXSEZ-UHFFFAOYSA-N
Compound name
1,3-dimethyl-6-phenyl-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

272.12732 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.13460 163.7
[M+Na]+ 295.11654 179.2
[M+NH4]+ 290.16114 170.0
[M+K]+ 311.09048 172.4
[M-H]- 271.12004 165.5
[M+Na-2H]- 293.10199 170.0
[M]+ 272.12677 166.3
[M]- 272.12787 166.3
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.