CID 3502703

1,1-dibutyl-3-(2,3-dichlorophenyl)urea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

316.11093 Da
Monoisotopic Mass

4.6
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

literature stripe

Patent stripe

patents stripe