CID 6400711

18237-80-4

Structural Information

Molecular Formula

C₁₃H₁₇Cl₂N₃O₂

SMILES

CC(=O)C(=NC1=CC=C(C=C1)N(CCCl)CCCl)NO

InChI

InChI=1S/C13H17Cl2N3O2/c1-10(19)13(17-20)16-11-2-4-12(5-3-11)18(8-6-14)9-7-15/h2-5,20H,6-9H2,1H3,(H,16,17)

InChIKey

VSBAFNAFXLWWNI-UHFFFAOYSA-N

Compound name

N'-[4-[bis(2-chloroethyl)amino]phenyl]-N-hydroxy-2-oxopropanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 317.0698 Da
Monoisotopic Mass: 2.6
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]+	318.077076	172.6
[M+Na]+	340.059018	178.1
[M-H]-	316.062524	176.5
[M+NH4]+	335.103623	188.0
[M+K]+	356.032958	173.9
[M+H-H2O]+	300.067060	166.8
[M+HCOO]-	362.068001	188.8
[M+CH3COO]-	376.083651	213.5
[M+Na-2H]-	338.044466	174.3
[M]+	317.06925142	176.8
[M]-	317.07034858	176.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.