CID 546107

1,1-dibutyl-3-(3,4-dichlorophenyl)urea

Structural Information

Molecular Formula
C15H22Cl2N2O
SMILES
CCCCN(CCCC)C(=O)NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C15H22Cl2N2O/c1-3-5-9-19(10-6-4-2)15(20)18-12-7-8-13(16)14(17)11-12/h7-8,11H,3-6,9-10H2,1-2H3,(H,18,20)
InChIKey
OUHARWOMIDEVIA-UHFFFAOYSA-N
Compound name
1,1-dibutyl-3-(3,4-dichlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

316.11093 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.11821 173.8
[M+Na]+ 339.10015 185.5
[M+NH4]+ 334.14475 181.5
[M+K]+ 355.07409 177.3
[M-H]- 315.10365 176.7
[M+Na-2H]- 337.08560 179.1
[M]+ 316.11038 176.8
[M]- 316.11148 176.8
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

patents stripe