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]+ 273.134596 165.5
[M+Na]+ 295.116538 176.1
[M-H]- 271.120044 166.9
[M+NH4]+ 290.161143 176.9
[M+K]+ 311.090478 169.7
[M+H-H2O]+ 255.124580 155.3
[M+HCOO]- 317.125521 180.3
[M+CH3COO]- 331.141171 175.7
[M+Na-2H]- 293.101986 170.2
[M]+ 272.12677142 163.9
[M]- 272.12786858 163.9
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.