CID 306748

501646-73-7

Structural Information

Molecular Formula
C14H19ClN2O
SMILES
C1CCC(CC1)NC(=O)NCC2=CC=CC=C2Cl
InChI
InChI=1S/C14H19ClN2O/c15-13-9-5-4-6-11(13)10-16-14(18)17-12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8,10H2,(H2,16,17,18)
InChIKey
VQOMKAFOFSYNQW-UHFFFAOYSA-N
Compound name
1-[(2-chlorophenyl)methyl]-3-cyclohexylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1186 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12588 161.6
[M+Na]+ 289.10782 172.7
[M+NH4]+ 284.15242 170.4
[M+K]+ 305.08176 164.9
[M-H]- 265.11132 166.7
[M+Na-2H]- 287.09327 168.9
[M]+ 266.11805 164.7
[M]- 266.11915 164.7
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.