CID 12307852

7-benzyl-1h,2h,3h,4h,5h,6h,7h,8h-pyrido[3,4-d]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C14H15N3O2
SMILES
C1CN(CC2=C1C(=O)NC(=O)N2)CC3=CC=CC=C3
InChI
InChI=1S/C14H15N3O2/c18-13-11-6-7-17(8-10-4-2-1-3-5-10)9-12(11)15-14(19)16-13/h1-5H,6-9H2,(H2,15,16,18,19)
InChIKey
DYNBNPAECUWPPS-UHFFFAOYSA-N
Compound name
7-benzyl-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

110
Patents

257.11642 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.12370 158.7
[M+Na]+ 280.10564 167.0
[M-H]- 256.10914 159.4
[M+NH4]+ 275.15024 170.9
[M+K]+ 296.07958 160.2
[M+H-H2O]+ 240.11368 149.3
[M+HCOO]- 302.11462 173.5
[M+CH3COO]- 316.13027 168.5
[M+Na-2H]- 278.09109 164.8
[M]+ 257.11587 154.1
[M]- 257.11697 154.1
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.