CID 56657

93569-09-6

Structural Information

Molecular Formula
C14H17Cl2N3O2
SMILES
CC1(C(=O)NC(=O)N1)C2=CC(=CC=C2)N(CCCl)CCCl
InChI
InChI=1S/C14H17Cl2N3O2/c1-14(12(20)17-13(21)18-14)10-3-2-4-11(9-10)19(7-5-15)8-6-16/h2-4,9H,5-8H2,1H3,(H2,17,18,20,21)
InChIKey
YGFQWHAWIKSSER-UHFFFAOYSA-N
Compound name
5-[3-[bis(2-chloroethyl)amino]phenyl]-5-methylimidazolidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.0698 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.07708 172.0
[M+Na]+ 352.05902 179.9
[M-H]- 328.06252 173.9
[M+NH4]+ 347.10362 187.3
[M+K]+ 368.03296 173.1
[M+H-H2O]+ 312.06706 165.3
[M+HCOO]- 374.06800 181.3
[M+CH3COO]- 388.08365 204.7
[M+Na-2H]- 350.04447 172.3
[M]+ 329.06925 172.7
[M]- 329.07035 172.7
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.