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: 112
Patents: 257.11642 Da
Monoisotopic Mass: 0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	258.123696	158.7
[M+Na]+	280.105638	167.0
[M-H]-	256.109144	159.4
[M+NH4]+	275.150243	170.9
[M+K]+	296.079578	160.2
[M+H-H2O]+	240.113680	149.3
[M+HCOO]-	302.114621	173.5
[M+CH3COO]-	316.130271	168.5
[M+Na-2H]-	278.091086	164.8
[M]+	257.11587142	154.1
[M]-	257.11696858	154.1

Literature stripe

literature stripe

Patent stripe

patents stripe