CID 72256

Heapt

Structural Information

Molecular Formula

C₁₀H₁₅N₅O₄

SMILES

CC1=CN(C(=O)NC1=O)C(CCN=[N+]=[N-])OCCO

InChI

InChI=1S/C10H15N5O4/c1-7-6-15(10(18)13-9(7)17)8(19-5-4-16)2-3-12-14-11/h6,8,16H,2-5H2,1H3,(H,13,17,18)

InChIKey

JQKQBIKLDBWPBY-UHFFFAOYSA-N

Compound name

1-[3-azido-1-(2-hydroxyethoxy)propyl]-5-methylpyrimidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 269.1124 Da
Monoisotopic Mass: 0.2
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]+	270.11968	155.8
[M+Na]+	292.10162	162.9
[M-H]-	268.10512	157.3
[M+NH4]+	287.14622	168.4
[M+K]+	308.07556	155.6
[M+H-H2O]+	252.10966	151.8
[M+HCOO]-	314.11060	181.4
[M+CH3COO]-	328.12625	195.1
[M+Na-2H]-	290.08707	163.9
[M]+	269.11185	155.6
[M]-	269.11295	155.6

Literature stripe

literature stripe

Patent stripe

patents stripe