CID 10359522

Chembl322250

Structural Information

Molecular Formula
C19H18N4O2
SMILES
CCCN1C(=O)C2=C(N=C3N2C=CC=C3)N(C1=O)CC4=CC=CC=C4
InChI
InChI=1S/C19H18N4O2/c1-2-11-22-18(24)16-17(20-15-10-6-7-12-21(15)16)23(19(22)25)13-14-8-4-3-5-9-14/h3-10,12H,2,11,13H2,1H3
InChIKey
LDLBAAURBBVHGB-UHFFFAOYSA-N
Compound name
1-benzyl-3-propylpurino[7,8-a]pyridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

334.14297 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.15025 179.3
[M+Na]+ 357.13219 197.1
[M+NH4]+ 352.17679 186.3
[M+K]+ 373.10613 190.0
[M-H]- 333.13569 182.4
[M+Na-2H]- 355.11764 187.1
[M]+ 334.14242 182.9
[M]- 334.14352 182.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.