CID 4336133

1,3-dimethyl-9-(2-ph-et)-6,7-dihydropyrimido(2,1-f)purine-2,4,8(1h,3h,9h)-trione

Structural Information

Molecular Formula
C18H19N5O3
SMILES
CN1C2=C(C(=O)N(C1=O)C)N3CCC(=O)N(C3=N2)CCC4=CC=CC=C4
InChI
InChI=1S/C18H19N5O3/c1-20-15-14(16(25)21(2)18(20)26)23-11-9-13(24)22(17(23)19-15)10-8-12-6-4-3-5-7-12/h3-7H,8-11H2,1-2H3
InChIKey
OYOLMLPQOYIRDY-UHFFFAOYSA-N
Compound name
1,3-dimethyl-9-(2-phenylethyl)-6,7-dihydropurino[7,8-a]pyrimidine-2,4,8-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1488 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.15608 187.3
[M+Na]+ 376.13802 200.2
[M-H]- 352.14152 190.6
[M+NH4]+ 371.18262 197.7
[M+K]+ 392.11196 193.0
[M+H-H2O]+ 336.14606 176.2
[M+HCOO]- 398.14700 202.8
[M+CH3COO]- 412.16265 197.3
[M+Na-2H]- 374.12347 189.3
[M]+ 353.14825 191.6
[M]- 353.14935 191.6
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.