CID 4178648

3-(2-chlorophenyl)-1-cyclohexyl-1-methylurea

Structural Information

Molecular Formula
C14H19ClN2O
SMILES
CN(C1CCCCC1)C(=O)NC2=CC=CC=C2Cl
InChI
InChI=1S/C14H19ClN2O/c1-17(11-7-3-2-4-8-11)14(18)16-13-10-6-5-9-12(13)15/h5-6,9-11H,2-4,7-8H2,1H3,(H,16,18)
InChIKey
QUVZZYXFWQBQIA-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-1-cyclohexyl-1-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1186 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.125876 161.9
[M+Na]+ 289.107818 165.7
[M-H]- 265.111324 168.7
[M+NH4]+ 284.152423 178.9
[M+K]+ 305.081758 162.3
[M+H-H2O]+ 249.115860 154.7
[M+HCOO]- 311.116801 179.4
[M+CH3COO]- 325.132451 201.9
[M+Na-2H]- 287.093266 164.4
[M]+ 266.11805142 159.2
[M]- 266.11914858 159.2
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

No patent data available for this compound.