CID 10359522

1-benzyl-3-propyl-1h,3h-pyrido[2,1-f]purine-2,4-dione

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]+ 335.150246 181.0
[M+Na]+ 357.132188 193.7
[M-H]- 333.135694 185.4
[M+NH4]+ 352.176793 193.3
[M+K]+ 373.106128 186.1
[M+H-H2O]+ 317.140230 170.0
[M+HCOO]- 379.141171 200.2
[M+CH3COO]- 393.156821 192.0
[M+Na-2H]- 355.117636 186.1
[M]+ 334.14242142 186.4
[M]- 334.14351858 186.4
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.