CID 3059247

5-(3,4-dichlorophenyl)-1-ethylbiuret

Structural Information

Molecular Formula
C10H11Cl2N3O2
SMILES
CCNC(=O)N(C1=CC(=C(C=C1)Cl)Cl)C(=O)N
InChI
InChI=1S/C10H11Cl2N3O2/c1-2-14-10(17)15(9(13)16)6-3-4-7(11)8(12)5-6/h3-5H,2H2,1H3,(H2,13,16)(H,14,17)
InChIKey
BYYCEGFOHCCVMB-UHFFFAOYSA-N
Compound name
1-carbamoyl-1-(3,4-dichlorophenyl)-3-ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.02283 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.03011 159.5
[M+Na]+ 298.01205 167.3
[M-H]- 274.01555 163.9
[M+NH4]+ 293.05665 176.8
[M+K]+ 313.98599 163.6
[M+H-H2O]+ 258.02009 154.8
[M+HCOO]- 320.02103 176.1
[M+CH3COO]- 334.03668 204.7
[M+Na-2H]- 295.99750 161.0
[M]+ 275.02228 162.0
[M]- 275.02338 162.0
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.