CID 4590300

1-butyl-3-(3,4-dichlorophenyl)-1-ethylurea

Structural Information

Molecular Formula
C13H18Cl2N2O
SMILES
CCCCN(CC)C(=O)NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C13H18Cl2N2O/c1-3-5-8-17(4-2)13(18)16-10-6-7-11(14)12(15)9-10/h6-7,9H,3-5,8H2,1-2H3,(H,16,18)
InChIKey
OHLITSSGHDNMEI-UHFFFAOYSA-N
Compound name
1-butyl-3-(3,4-dichlorophenyl)-1-ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

288.07962 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.08690 166.4
[M+Na]+ 311.06884 173.7
[M-H]- 287.07234 170.5
[M+NH4]+ 306.11344 183.9
[M+K]+ 327.04278 168.9
[M+H-H2O]+ 271.07688 161.1
[M+HCOO]- 333.07782 182.0
[M+CH3COO]- 347.09347 207.6
[M+Na-2H]- 309.05429 168.2
[M]+ 288.07907 171.4
[M]- 288.08017 171.4
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