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
5
Annotation Hits

20
References

18762
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 161.7
[M+Na]+ 297.05318 169.5
[M-H]- 273.05668 166.0
[M+NH4]+ 292.09778 179.8
[M+K]+ 313.02712 165.0
[M+H-H2O]+ 257.06122 156.7
[M+HCOO]- 319.06216 177.6
[M+CH3COO]- 333.07781 204.7
[M+Na-2H]- 295.03863 164.1
[M]+ 274.06341 166.4
[M]- 274.06451 166.4
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