CID 3049072

Brn 1174239

Structural Information

Molecular Formula
C15H13FN4O3
SMILES
CC1=NC2=C(C(=O)N(C(=O)N2C)C)C(=O)N1C3=CC=CC=C3F
InChI
InChI=1S/C15H13FN4O3/c1-8-17-12-11(13(21)19(3)15(23)18(12)2)14(22)20(8)10-7-5-4-6-9(10)16/h4-7H,1-3H3
InChIKey
GFAPAWSXLIQKML-UHFFFAOYSA-N
Compound name
6-(2-fluorophenyl)-1,3,7-trimethylpyrimido[4,5-d]pyrimidine-2,4,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.09717 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.10445 173.5
[M+Na]+ 339.08639 188.8
[M-H]- 315.08989 176.6
[M+NH4]+ 334.13099 184.5
[M+K]+ 355.06033 182.3
[M+H-H2O]+ 299.09443 162.4
[M+HCOO]- 361.09537 191.3
[M+CH3COO]- 375.11102 210.5
[M+Na-2H]- 337.07184 177.2
[M]+ 316.09662 177.7
[M]- 316.09772 177.7
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.