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]+ 358.10835 180.6
[M+Na]+ 380.09029 187.7
[M-H]- 356.09379 182.2
[M+NH4]+ 375.13489 194.8
[M+K]+ 396.06423 180.5
[M+H-H2O]+ 340.09833 173.6
[M+HCOO]- 402.09927 189.2
[M+CH3COO]- 416.11492 210.5
[M+Na-2H]- 378.07574 180.0
[M]+ 357.10052 182.0
[M]- 357.10162 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.