CID 56539

93089-41-9

Structural Information

Molecular Formula
C16H21Cl2N3O2
SMILES
CC1(C(=O)NC(=O)N1)CCC2=CC=C(C=C2)N(CCCl)CCCl
InChI
InChI=1S/C16H21Cl2N3O2/c1-16(14(22)19-15(23)20-16)7-6-12-2-4-13(5-3-12)21(10-8-17)11-9-18/h2-5H,6-11H2,1H3,(H2,19,20,22,23)
InChIKey
VLFIDJLUELONPV-UHFFFAOYSA-N
Compound name
5-[2-[4-[bis(2-chloroethyl)amino]phenyl]ethyl]-5-methylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.10107 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.108346 180.6
[M+Na]+ 380.090288 187.7
[M-H]- 356.093794 182.2
[M+NH4]+ 375.134893 194.8
[M+K]+ 396.064228 180.5
[M+H-H2O]+ 340.098330 173.6
[M+HCOO]- 402.099271 189.2
[M+CH3COO]- 416.114921 210.5
[M+Na-2H]- 378.075736 180.0
[M]+ 357.10052142 182.0
[M]- 357.10161858 182.0
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.