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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.06142 168.3
[M+Na]+ 338.04336 179.4
[M+NH4]+ 333.08796 174.5
[M+K]+ 354.01730 174.6
[M-H]- 314.04686 169.3
[M+Na-2H]- 336.02881 172.6
[M]+ 315.05359 170.3
[M]- 315.05469 170.3
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.