CID 43550

Acetic acid, (4-(3-(2-fluoroethyl)-3-nitrosoureido)cyclohexyl)methyl ester, (e)-

Structural Information

Molecular Formula
C12H20FN3O4
SMILES
CC(=O)OCC1CCC(CC1)NC(=O)N(CCF)N=O
InChI
InChI=1S/C12H20FN3O4/c1-9(17)20-8-10-2-4-11(5-3-10)14-12(18)16(15-19)7-6-13/h10-11H,2-8H2,1H3,(H,14,18)
InChIKey
DSAIPBQRUPSXOR-UHFFFAOYSA-N
Compound name
[4-[[2-fluoroethyl(nitroso)carbamoyl]amino]cyclohexyl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

289.1438 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.15108 165.3
[M+Na]+ 312.13302 169.6
[M+NH4]+ 307.17762 169.5
[M+K]+ 328.10696 166.7
[M-H]- 288.13652 164.6
[M+Na-2H]- 310.11847 166.6
[M]+ 289.14325 164.8
[M]- 289.14435 164.8
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.