CID 59599

Acetamido-cnu

Structural Information

Molecular Formula

C₅H₉ClN₄O₃

SMILES

CC(=O)NN(C(=O)NCCCl)N=O

InChI

InChI=1S/C5H9ClN4O3/c1-4(11)8-10(9-13)5(12)7-3-2-6/h2-3H2,1H3,(H,7,12)(H,8,11)

InChIKey

XSIXQOVOUVBLCV-UHFFFAOYSA-N

Compound name

1-acetamido-3-(2-chloroethyl)-1-nitrosourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 0
Patents: 208.03632 Da
Monoisotopic Mass: -0.1
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]+	209.04360	142.6
[M+Na]+	231.02554	148.6
[M-H]-	207.02904	145.9
[M+NH4]+	226.07014	162.1
[M+K]+	246.99948	149.3
[M+H-H2O]+	191.03358	136.8
[M+HCOO]-	253.03452	167.6
[M+CH3COO]-	267.05017	196.4
[M+Na-2H]-	229.01099	147.7
[M]+	208.03577	145.8
[M]-	208.03687	145.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.