CID 597783

92440-76-1

Structural Information

Molecular Formula

C₁₄H₁₇N₃O₄

SMILES

COC1=CC(=CC(=C1OC)OC)CC2=CN=C(NC2=O)N

InChI

InChI=1S/C14H17N3O4/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-16-14(15)17-13(9)18/h5-7H,4H2,1-3H3,(H3,15,16,17,18)

InChIKey

ZKFZTBRMADDRMK-UHFFFAOYSA-N

Compound name

2-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 291.12192 Da
Monoisotopic Mass: 0.5
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]+	292.12920	166.8
[M+Na]+	314.11114	180.0
[M+NH4]+	309.15574	172.0
[M+K]+	330.08508	174.8
[M-H]-	290.11464	168.7
[M+Na-2H]-	312.09659	172.9
[M]+	291.12137	169.0
[M]-	291.12247	169.0

Literature stripe

literature stripe

Patent stripe

patents stripe