CID 3040318

52030-17-8

Structural Information

Molecular Formula
C16H25ClN2O
SMILES
CCCC(CCC)C(C)NC(=O)NC1=CC(=CC=C1)Cl
InChI
InChI=1S/C16H25ClN2O/c1-4-7-13(8-5-2)12(3)18-16(20)19-15-10-6-9-14(17)11-15/h6,9-13H,4-5,7-8H2,1-3H3,(H2,18,19,20)
InChIKey
RPDRHXGBODZXSG-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-(3-propylhexan-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.16553 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.17281 173.3
[M+Na]+ 319.15475 183.0
[M+NH4]+ 314.19935 180.4
[M+K]+ 335.12869 176.2
[M-H]- 295.15825 175.6
[M+Na-2H]- 317.14020 177.7
[M]+ 296.16498 175.4
[M]- 296.16608 175.4
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.