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]+ 285.159746 163.5
[M+Na]+ 307.141688 166.8
[M-H]- 283.145194 168.6
[M+NH4]+ 302.186293 178.4
[M+K]+ 323.115628 162.4
[M+H-H2O]+ 267.149730 155.4
[M+HCOO]- 329.150671 182.5
[M+CH3COO]- 343.166321 202.6
[M+Na-2H]- 305.127136 168.2
[M]+ 284.15192142 157.0
[M]- 284.15301858 157.0
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.