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 160.5
[M+Na]+ 289.10782 163.4
[M-H]- 265.11132 166.7
[M+NH4]+ 284.15242 175.9
[M+K]+ 305.08176 163.9
[M+H-H2O]+ 249.11586 153.7
[M+HCOO]- 311.11680 177.1
[M+CH3COO]- 325.13245 199.2
[M+Na-2H]- 287.09327 163.5
[M]+ 266.11805 153.5
[M]- 266.11915 153.5
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.