CID 75480674

1803598-30-2

Structural Information

Molecular Formula

C₈H₁₁N₃O

SMILES

CN1C=NC2=C(C1=O)CCNC2

InChI

InChI=1S/C8H11N3O/c1-11-5-10-7-4-9-3-2-6(7)8(11)12/h5,9H,2-4H2,1H3

InChIKey

LYWYQTFDWYZQHK-UHFFFAOYSA-N

Compound name

3-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 165.09021 Da
Monoisotopic Mass: -1.1
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]+	166.09749	134.7
[M+Na]+	188.07943	143.8
[M-H]-	164.08293	133.8
[M+NH4]+	183.12403	151.8
[M+K]+	204.05337	140.1
[M+H-H2O]+	148.08747	127.0
[M+HCOO]-	210.08841	151.5
[M+CH3COO]-	224.10406	146.7
[M+Na-2H]-	186.06488	142.7
[M]+	165.08966	131.4
[M]-	165.09076	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe