CID 56612

93307-80-3

Structural Information

Molecular Formula
C13H15Cl2N3O2
SMILES
C1=CC(=CC(=C1)N(CCCl)CCCl)C2C(=O)NC(=O)N2
InChI
InChI=1S/C13H15Cl2N3O2/c14-4-6-18(7-5-15)10-3-1-2-9(8-10)11-12(19)17-13(20)16-11/h1-3,8,11H,4-7H2,(H2,16,17,19,20)
InChIKey
PWPKMTNHIIMLPD-UHFFFAOYSA-N
Compound name
5-[3-[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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.06142 170.2
[M+Na]+ 338.04336 177.6
[M-H]- 314.04686 171.9
[M+NH4]+ 333.08796 184.0
[M+K]+ 354.01730 170.8
[M+H-H2O]+ 298.05140 162.7
[M+HCOO]- 360.05234 179.6
[M+CH3COO]- 374.06799 202.3
[M+Na-2H]- 336.02881 169.6
[M]+ 315.05359 170.2
[M]- 315.05469 170.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.