CID 50989214

944902-70-9

Structural Information

Molecular Formula

C₈H₁₁N₃O

SMILES

COC1=NC=NC2=C1CNCC2

InChI

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

InChIKey

FAQYDZRQALQEDF-UHFFFAOYSA-N

Compound name

4-methoxy-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 165.09021 Da
Monoisotopic Mass: -0.1
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]+	166.097486	135.0
[M+Na]+	188.079428	142.8
[M-H]-	164.082934	133.6
[M+NH4]+	183.124033	151.8
[M+K]+	204.053368	139.8
[M+H-H2O]+	148.087470	126.9
[M+HCOO]-	210.088411	151.5
[M+CH3COO]-	224.104061	146.6
[M+Na-2H]-	186.064876	143.7
[M]+	165.08966142	131.9
[M]-	165.09075858	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe