CID 257403

1,5-bis(2-chloroethyl)biuret

Structural Information

Molecular Formula
C6H11Cl2N3O2
SMILES
C(CCl)NC(=O)NC(=O)NCCCl
InChI
InChI=1S/C6H11Cl2N3O2/c7-1-3-9-5(12)11-6(13)10-4-2-8/h1-4H2,(H3,9,10,11,12,13)
InChIKey
YEAPZDVWWPEUCZ-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(2-chloroethylcarbamoyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.02283 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.03011 148.4
[M+Na]+ 250.01205 154.4
[M-H]- 226.01555 148.0
[M+NH4]+ 245.05665 166.8
[M+K]+ 265.98599 150.9
[M+H-H2O]+ 210.02009 144.5
[M+HCOO]- 272.02103 164.6
[M+CH3COO]- 286.03668 191.6
[M+Na-2H]- 247.99750 152.1
[M]+ 227.02228 149.9
[M]- 227.02338 149.9
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.