CID 898671

N-(3-chlorophenyl)-n'-cyclooctylurea

Structural Information

Molecular Formula
C15H21ClN2O
SMILES
C1CCCC(CCC1)NC(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C15H21ClN2O/c16-12-7-6-10-14(11-12)18-15(19)17-13-8-4-2-1-3-5-9-13/h6-7,10-11,13H,1-5,8-9H2,(H2,17,18,19)
InChIKey
QJSIURPCMSJGAF-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-cyclooctylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13425 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14153 159.9
[M+Na]+ 303.12347 163.2
[M-H]- 279.12697 162.5
[M+NH4]+ 298.16807 167.1
[M+K]+ 319.09741 162.1
[M+H-H2O]+ 263.13151 155.8
[M+HCOO]- 325.13245 167.3
[M+CH3COO]- 339.14810 230.0
[M+Na-2H]- 301.10892 159.3
[M]+ 280.13370 157.7
[M]- 280.13480 157.7
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.