CID 3045246

F-b 1 (pharmaceutical)

Structural Information

Molecular Formula
C16H17FN2O4
SMILES
CCC1(C(=O)NC(=O)NC1=O)CCCC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C16H17FN2O4/c1-2-16(13(21)18-15(23)19-14(16)22)9-3-4-12(20)10-5-7-11(17)8-6-10/h5-8H,2-4,9H2,1H3,(H2,18,19,21,22,23)
InChIKey
AOSATGMEUVMRSI-UHFFFAOYSA-N
Compound name
5-ethyl-5-[4-(4-fluorophenyl)-4-oxobutyl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.11725 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12453 175.8
[M+Na]+ 343.10647 185.3
[M+NH4]+ 338.15107 180.5
[M+K]+ 359.08041 178.6
[M-H]- 319.10997 173.8
[M+Na-2H]- 341.09192 179.2
[M]+ 320.11670 176.1
[M]- 320.11780 176.1
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.