CID 478226

1-(3,4-dichlorophenyl)-3-[(3,4-dichlorophenyl)carbamoylamino]urea

Structural Information

Molecular Formula
C14H10Cl4N4O2
SMILES
C1=CC(=C(C=C1NC(=O)NNC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl)Cl
InChI
InChI=1S/C14H10Cl4N4O2/c15-9-3-1-7(5-11(9)17)19-13(23)21-22-14(24)20-8-2-4-10(16)12(18)6-8/h1-6H,(H2,19,21,23)(H2,20,22,24)
InChIKey
XNXKRMXGLWGMJN-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-[(3,4-dichlorophenyl)carbamoylamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.95578 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.96306 188.8
[M+Na]+ 428.94500 196.4
[M-H]- 404.94850 192.4
[M+NH4]+ 423.98960 200.1
[M+K]+ 444.91894 190.2
[M+H-H2O]+ 388.95304 184.3
[M+HCOO]- 450.95398 195.4
[M+CH3COO]- 464.96963 225.1
[M+Na-2H]- 426.93045 189.1
[M]+ 405.95523 190.5
[M]- 405.95633 190.5
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.