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 161.1
[M+Na]+ 282.15884 163.2
[M-H]- 258.16234 164.7
[M+NH4]+ 277.20344 177.9
[M+K]+ 298.13278 163.9
[M+H-H2O]+ 242.16688 152.4
[M+HCOO]- 304.16782 183.1
[M+CH3COO]- 318.18347 209.1
[M+Na-2H]- 280.14429 161.6
[M]+ 259.16907 157.9
[M]- 259.17017 157.9
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.