CID 92390

74141-74-5

Structural Information

Molecular Formula

C₉H₁₄N₄O₅

SMILES

C1=CN(C(=N1)[N+](=O)[O-])CC(=O)N(CCO)CCO

InChI

InChI=1S/C9H14N4O5/c14-5-3-11(4-6-15)8(16)7-12-2-1-10-9(12)13(17)18/h1-2,14-15H,3-7H2

InChIKey

KGFGBSRVWKBWIC-UHFFFAOYSA-N

Compound name

N,N-bis(2-hydroxyethyl)-2-(2-nitroimidazol-1-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 15
References: 1
Patents: 258.0964 Da
Monoisotopic Mass: -1.6
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]+	259.10368	153.5
[M+Na]+	281.08562	160.8
[M+NH4]+	276.13022	157.3
[M+K]+	297.05956	163.4
[M-H]-	257.08912	152.2
[M+Na-2H]-	279.07107	155.0
[M]+	258.09585	153.3
[M]-	258.09695	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe