CID 371832

Nsc646348

Structural Information

Molecular Formula
C17H27FN2O
SMILES
C1CCC(CC1)NC(=O)NC23CC4CC(C2)CC(C4)(C3)F
InChI
InChI=1S/C17H27FN2O/c18-16-7-12-6-13(8-16)10-17(9-12,11-16)20-15(21)19-14-4-2-1-3-5-14/h12-14H,1-11H2,(H2,19,20,21)
InChIKey
UEBGOLDCBLRMLD-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(3-fluoro-1-adamantyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.21075 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.21803 164.7
[M+Na]+ 317.19997 163.2
[M-H]- 293.20347 159.9
[M+NH4]+ 312.24457 187.3
[M+K]+ 333.17391 158.9
[M+H-H2O]+ 277.20801 155.2
[M+HCOO]- 339.20895 167.7
[M+CH3COO]- 353.22460 170.2
[M+Na-2H]- 315.18542 173.1
[M]+ 294.21020 157.1
[M]- 294.21130 157.1
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.