CID 209000

19071-55-7

Structural Information

Molecular Formula
C16H24N2O2
SMILES
C1CCC(CC1)NC(=O)NC(CC2=CC=CC=C2)CO
InChI
InChI=1S/C16H24N2O2/c19-12-15(11-13-7-3-1-4-8-13)18-16(20)17-14-9-5-2-6-10-14/h1,3-4,7-8,14-15,19H,2,5-6,9-12H2,(H2,17,18,20)
InChIKey
XFUGKLBVROWYBF-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(1-hydroxy-3-phenylpropan-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.18378 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.19106 166.1
[M+Na]+ 299.17300 166.2
[M-H]- 275.17650 169.4
[M+NH4]+ 294.21760 179.8
[M+K]+ 315.14694 163.1
[M+H-H2O]+ 259.18104 157.8
[M+HCOO]- 321.18198 184.6
[M+CH3COO]- 335.19763 200.3
[M+Na-2H]- 297.15845 168.1
[M]+ 276.18323 159.0
[M]- 276.18433 159.0
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.