CID 379361

Nsc663907

Structural Information

Molecular Formula

C₉H₁₄N₄O₃

SMILES

C1=CN(C(=O)N=C1N)CC(=O)NCCCO

InChI

InChI=1S/C9H14N4O3/c10-7-2-4-13(9(16)12-7)6-8(15)11-3-1-5-14/h2,4,14H,1,3,5-6H2,(H,11,15)(H2,10,12,16)

InChIKey

BIYOMCMNQSGOBZ-UHFFFAOYSA-N

Compound name

2-(4-amino-2-oxopyrimidin-1-yl)-N-(3-hydroxypropyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 226.1066 Da
Monoisotopic Mass: -2.1
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]+	227.113876	148.9
[M+Na]+	249.095818	156.1
[M-H]-	225.099324	148.3
[M+NH4]+	244.140423	162.9
[M+K]+	265.069758	153.4
[M+H-H2O]+	209.103860	140.8
[M+HCOO]-	271.104801	170.8
[M+CH3COO]-	285.120451	190.8
[M+Na-2H]-	247.081266	153.7
[M]+	226.10605142	148.3
[M]-	226.10714858	148.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.