CID 135443999

110104-37-5

Structural Information

Molecular Formula

C₁₀H₁₃N₅O₄

SMILES

CC(=O)NC1=NC2=C(C(=O)N1)N=CN2COCCO

InChI

InChI=1S/C10H13N5O4/c1-6(17)12-10-13-8-7(9(18)14-10)11-4-15(8)5-19-3-2-16/h4,16H,2-3,5H2,1H3,(H2,12,13,14,17,18)

InChIKey

DJMINGJGFGSDDB-UHFFFAOYSA-N

Compound name

N-[9-(2-hydroxyethoxymethyl)-6-oxo-1H-purin-2-yl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 13
Patents: 267.09674 Da
Monoisotopic Mass: -1.7
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]+	268.10402	156.6
[M+Na]+	290.08596	166.7
[M-H]-	266.08946	154.5
[M+NH4]+	285.13056	169.2
[M+K]+	306.05990	162.9
[M+H-H2O]+	250.09400	148.2
[M+HCOO]-	312.09494	175.7
[M+CH3COO]-	326.11059	193.5
[M+Na-2H]-	288.07141	162.2
[M]+	267.09619	160.2
[M]-	267.09729	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe