CID 3700152

1-(2-hydroxycyclohexyl)-3-(naphthalen-1-yl)urea

Structural Information

Molecular Formula
C17H20N2O2
SMILES
C1CCC(C(C1)NC(=O)NC2=CC=CC3=CC=CC=C32)O
InChI
InChI=1S/C17H20N2O2/c20-16-11-4-3-9-15(16)19-17(21)18-14-10-5-7-12-6-1-2-8-13(12)14/h1-2,5-8,10,15-16,20H,3-4,9,11H2,(H2,18,19,21)
InChIKey
OEDOKLAJPVFKSD-UHFFFAOYSA-N
Compound name
1-(2-hydroxycyclohexyl)-3-naphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

284.15247 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15975 166.8
[M+Na]+ 307.14169 177.8
[M+NH4]+ 302.18629 175.2
[M+K]+ 323.11563 170.6
[M-H]- 283.14519 172.1
[M+Na-2H]- 305.12714 173.5
[M]+ 284.15192 169.6
[M]- 284.15302 169.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.