CID 74894

4-[bis(2-chloroethyl)amino]benzamide

Structural Information

Molecular Formula

C₁₁H₁₄Cl₂N₂O

SMILES

C1=CC(=CC=C1C(=O)N)N(CCCl)CCCl

InChI

InChI=1S/C11H14Cl2N2O/c12-5-7-15(8-6-13)10-3-1-9(2-4-10)11(14)16/h1-4H,5-8H2,(H2,14,16)

InChIKey

ZNHHOAIGZOAPLA-UHFFFAOYSA-N

Compound name

4-[bis(2-chloroethyl)amino]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 260.0483 Da
Monoisotopic Mass: 2.3
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]+	261.05558	155.8
[M+Na]+	283.03752	167.6
[M+NH4]+	278.08212	164.0
[M+K]+	299.01146	160.4
[M-H]-	259.04102	158.5
[M+Na-2H]-	281.02297	161.9
[M]+	260.04775	158.7
[M]-	260.04885	158.7

Literature stripe

literature stripe

Patent stripe

patents stripe