CID 2852434

1,2-bis(3-chlorophenylureido)propane

Structural Information

Molecular Formula
C17H18Cl2N4O2
SMILES
CC(CNC(=O)NC1=CC(=CC=C1)Cl)NC(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C17H18Cl2N4O2/c1-11(21-17(25)23-15-7-3-5-13(19)9-15)10-20-16(24)22-14-6-2-4-12(18)8-14/h2-9,11H,10H2,1H3,(H2,20,22,24)(H2,21,23,25)
InChIKey
SPVVQHOVDUHBOG-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)carbamoylamino]propan-2-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.0807 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.08798 188.3
[M+Na]+ 403.06992 193.1
[M-H]- 379.07342 194.0
[M+NH4]+ 398.11452 200.2
[M+K]+ 419.04386 187.4
[M+H-H2O]+ 363.07796 181.3
[M+HCOO]- 425.07890 204.2
[M+CH3COO]- 439.09455 223.9
[M+Na-2H]- 401.05537 190.1
[M]+ 380.08015 189.8
[M]- 380.08125 189.8
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.