CID 24428

Brn 0654389

Structural Information

Molecular Formula
C8H13Cl2N3O2
SMILES
C1C(=O)N(C(=O)N1)CN(CCCl)CCCl
InChI
InChI=1S/C8H13Cl2N3O2/c9-1-3-12(4-2-10)6-13-7(14)5-11-8(13)15/h1-6H2,(H,11,15)
InChIKey
LOVUMIHFRIUALA-UHFFFAOYSA-N
Compound name
3-[bis(2-chloroethyl)aminomethyl]imidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.03848 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.04576 154.2
[M+Na]+ 276.02770 161.9
[M-H]- 252.03120 153.9
[M+NH4]+ 271.07230 171.2
[M+K]+ 292.00164 157.5
[M+H-H2O]+ 236.03574 147.8
[M+HCOO]- 298.03668 165.2
[M+CH3COO]- 312.05233 193.2
[M+Na-2H]- 274.01315 154.9
[M]+ 253.03793 155.8
[M]- 253.03903 155.8
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.