CID 11145

Neburon

Structural Information

Molecular Formula
C12H16Cl2N2O
SMILES
CCCCN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl
InChI
InChI=1S/C12H16Cl2N2O/c1-3-4-7-16(2)12(17)15-9-5-6-10(13)11(14)8-9/h5-6,8H,3-4,7H2,1-2H3,(H,15,17)
InChIKey
CCGPUGMWYLICGL-UHFFFAOYSA-N
Compound name
1-butyl-3-(3,4-dichlorophenyl)-1-methylurea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

20
References

17334
Patents

274.06396 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.07124 160.4
[M+Na]+ 297.05318 172.7
[M+NH4]+ 292.09778 168.6
[M+K]+ 313.02712 165.2
[M-H]- 273.05668 163.3
[M+Na-2H]- 295.03863 166.5
[M]+ 274.06341 163.4
[M]- 274.06451 163.4
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