CID 315310

Cb 1739

Structural Information

Molecular Formula
C15H17Cl2N3O2
SMILES
C1CC2(C3=C1C=CC(=C3)N(CCCl)CCCl)C(=O)NC(=O)N2
InChI
InChI=1S/C15H17Cl2N3O2/c16-5-7-20(8-6-17)11-2-1-10-3-4-15(12(10)9-11)13(21)18-14(22)19-15/h1-2,9H,3-8H2,(H2,18,19,21,22)
InChIKey
SLOOKLJYJCGNRB-UHFFFAOYSA-N
Compound name
5-[bis(2-chloroethyl)amino]spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.0698 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.07708 178.1
[M+Na]+ 364.05902 186.5
[M-H]- 340.06252 180.0
[M+NH4]+ 359.10362 196.0
[M+K]+ 380.03296 179.1
[M+H-H2O]+ 324.06706 171.8
[M+HCOO]- 386.06800 186.0
[M+CH3COO]- 400.08365 187.5
[M+Na-2H]- 362.04447 177.5
[M]+ 341.06925 178.1
[M]- 341.07035 178.1
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.