CID 64293

33024-42-9

Structural Information

Molecular Formula
C16H26FN3O2
SMILES
CC12CC3(CC(C1)(CC(C2)(C3)NC(=O)N(CCF)N=O)C)C
InChI
InChI=1S/C16H26FN3O2/c1-13-6-14(2)8-15(3,7-13)11-16(9-13,10-14)18-12(21)20(19-22)5-4-17/h4-11H2,1-3H3,(H,18,21)
InChIKey
ABDNOXBKKCVKEO-UHFFFAOYSA-N
Compound name
1-(2-fluoroethyl)-1-nitroso-3-(3,5,7-trimethyl-1-adamantyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.2009 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.20818 170.4
[M+Na]+ 334.19012 173.2
[M-H]- 310.19362 166.2
[M+NH4]+ 329.23472 197.5
[M+K]+ 350.16406 171.6
[M+H-H2O]+ 294.19816 162.2
[M+HCOO]- 356.19910 179.2
[M+CH3COO]- 370.21475 223.1
[M+Na-2H]- 332.17557 182.4
[M]+ 311.20035 172.9
[M]- 311.20145 172.9
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.