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

139
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

literature stripe

Patent stripe

patents stripe