CID 97554

Allomatridine

Structural Information

Molecular Formula
C12H22FN3O2
SMILES
CC(C)C1CCC(CC1)NC(=O)N(CCF)N=O
InChI
InChI=1S/C12H22FN3O2/c1-9(2)10-3-5-11(6-4-10)14-12(17)16(15-18)8-7-13/h9-11H,3-8H2,1-2H3,(H,14,17)
InChIKey
PPHTXWDQYFRGKI-UHFFFAOYSA-N
Compound name
1-(2-fluoroethyl)-1-nitroso-3-(4-propan-2-ylcyclohexyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

259.16962 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.17690 161.0
[M+Na]+ 282.15884 166.3
[M+NH4]+ 277.20344 166.7
[M+K]+ 298.13278 162.2
[M-H]- 258.16234 161.6
[M+Na-2H]- 280.14429 163.2
[M]+ 259.16907 161.2
[M]- 259.17017 161.2
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.