CID 56656

93569-08-5

Structural Information

Molecular Formula
C14H17Cl2N3O2
SMILES
CN1C(=O)C(NC1=O)C2=CC(=CC=C2)N(CCCl)CCCl
InChI
InChI=1S/C14H17Cl2N3O2/c1-18-13(20)12(17-14(18)21)10-3-2-4-11(9-10)19(7-5-15)8-6-16/h2-4,9,12H,5-8H2,1H3,(H,17,21)
InChIKey
YANVAAFHSOENRQ-UHFFFAOYSA-N
Compound name
5-[3-[bis(2-chloroethyl)amino]phenyl]-3-methylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.0698 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.07708 174.8
[M+Na]+ 352.05902 183.1
[M-H]- 328.06252 178.0
[M+NH4]+ 347.10362 189.0
[M+K]+ 368.03296 176.9
[M+H-H2O]+ 312.06706 167.2
[M+HCOO]- 374.06800 185.3
[M+CH3COO]- 388.08365 208.7
[M+Na-2H]- 350.04447 173.4
[M]+ 329.06925 177.4
[M]- 329.07035 177.4
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.