CID 3819910

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

Structural Information

Molecular Formula
C14H19ClN2O
SMILES
C1CCCC(CC1)NC(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C14H19ClN2O/c15-11-6-5-9-13(10-11)17-14(18)16-12-7-3-1-2-4-8-12/h5-6,9-10,12H,1-4,7-8H2,(H2,16,17,18)
InChIKey
SHGXPBSELCVBCT-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-cycloheptylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.1186 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12588 160.9
[M+Na]+ 289.10782 169.8
[M+NH4]+ 284.15242 168.6
[M+K]+ 305.08176 164.0
[M-H]- 265.11132 165.2
[M+Na-2H]- 287.09327 167.6
[M]+ 266.11805 163.5
[M]- 266.11915 163.5
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.