CID 90486691

1,2-bis(3,4-dichlorophenylureido)propane

Structural Information

Molecular Formula
C17H16Cl4N4O2
SMILES
CC(CNC(=O)NC1=CC(=C(C=C1)Cl)Cl)NC(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C17H16Cl4N4O2/c1-9(23-17(27)25-11-3-5-13(19)15(21)7-11)8-22-16(26)24-10-2-4-12(18)14(20)6-10/h2-7,9H,8H2,1H3,(H2,22,24,26)(H2,23,25,27)
InChIKey
MALJHGVCVLUWLG-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-[1-[(3,4-dichlorophenyl)carbamoylamino]propan-2-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.00275 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.01003 200.2
[M+Na]+ 470.99197 206.3
[M-H]- 446.99547 203.6
[M+NH4]+ 466.03657 209.9
[M+K]+ 486.96591 200.2
[M+H-H2O]+ 431.00001 195.5
[M+HCOO]- 493.00095 205.2
[M+CH3COO]- 507.01660 234.5
[M+Na-2H]- 468.97742 198.2
[M]+ 448.00220 202.7
[M]- 448.00330 202.7
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.