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 175.6
[M+Na]+ 339.10015 182.1
[M-H]- 315.10365 179.3
[M+NH4]+ 334.14475 192.0
[M+K]+ 355.07409 176.8
[M+H-H2O]+ 299.10819 169.9
[M+HCOO]- 361.10913 190.5
[M+CH3COO]- 375.12478 213.5
[M+Na-2H]- 337.08560 176.3
[M]+ 316.11038 181.4
[M]- 316.11148 181.4
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