CID 372516

Nsc647645

Structural Information

Molecular Formula
C11H16BrFN2O5
SMILES
CC1(C(N(C(=O)NC1=O)C2CC(C(O2)CO)F)OC)Br
InChI
InChI=1S/C11H16BrFN2O5/c1-11(12)8(17)14-10(18)15(9(11)19-2)7-3-5(13)6(4-16)20-7/h5-7,9,16H,3-4H2,1-2H3,(H,14,17,18)
InChIKey
DUICDJHBRPQIQD-UHFFFAOYSA-N
Compound name
5-bromo-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-6-methoxy-5-methyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

354.02267 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.02995 168.2
[M+Na]+ 377.01189 179.1
[M-H]- 353.01539 171.8
[M+NH4]+ 372.05649 183.8
[M+K]+ 392.98583 168.9
[M+H-H2O]+ 337.01993 167.7
[M+HCOO]- 399.02087 178.8
[M+CH3COO]- 413.03652 203.1
[M+Na-2H]- 374.99734 168.6
[M]+ 354.02212 184.1
[M]- 354.02322 184.1
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.