CID 60487

Cb 1648

Structural Information

Molecular Formula

C₁₃H₁₅Cl₂N₃O₂

SMILES

C1=CC(=CC=C1C2C(=O)NC(=O)N2)N(CCCl)CCCl

InChI

InChI=1S/C13H15Cl2N3O2/c14-5-7-18(8-6-15)10-3-1-9(2-4-10)11-12(19)17-13(20)16-11/h1-4,11H,5-8H2,(H2,16,17,19,20)

InChIKey

CJACFRAJQCLVJP-UHFFFAOYSA-N

Compound name

5-[4-[bis(2-chloroethyl)amino]phenyl]imidazolidine-2,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 315.05414 Da
Monoisotopic Mass: 1.8
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]+	316.061416	170.2
[M+Na]+	338.043358	177.6
[M-H]-	314.046864	171.9
[M+NH4]+	333.087963	184.0
[M+K]+	354.017298	170.8
[M+H-H2O]+	298.051400	162.7
[M+HCOO]-	360.052341	179.6
[M+CH3COO]-	374.067991	202.3
[M+Na-2H]-	336.028806	169.6
[M]+	315.05359142	170.2
[M]-	315.05468858	170.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.