CID 379358

Nsc663904

Structural Information

Molecular Formula

C₁₀H₁₅N₃O₄

SMILES

CC1=CN(C(=O)NC1=O)CC(=O)NCCCO

InChI

InChI=1S/C10H15N3O4/c1-7-5-13(10(17)12-9(7)16)6-8(15)11-3-2-4-14/h5,14H,2-4,6H2,1H3,(H,11,15)(H,12,16,17)

InChIKey

SRCCWGPWAOPVPM-UHFFFAOYSA-N

Compound name

N-(3-hydroxypropyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 241.10626 Da
Monoisotopic Mass: -1.4
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]+	242.113536	151.7
[M+Na]+	264.095478	160.0
[M-H]-	240.098984	150.5
[M+NH4]+	259.140083	165.3
[M+K]+	280.069418	156.6
[M+H-H2O]+	224.103520	144.3
[M+HCOO]-	286.104461	171.7
[M+CH3COO]-	300.120111	189.6
[M+Na-2H]-	262.080926	155.4
[M]+	241.10571142	152.5
[M]-	241.10680858	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe