CID 371875

Nsc646439

Structural Information

Molecular Formula
C11H16ClFN2O5
SMILES
CC1(C(N(C(=O)NC1=O)C2CC(C(O2)CO)F)OC)Cl
InChI
InChI=1S/C11H16ClFN2O5/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
SHSXDBAUEKBHQZ-UHFFFAOYSA-N
Compound name
5-chloro-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

310.07318 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.08046 163.5
[M+Na]+ 333.06240 172.6
[M-H]- 309.06590 164.5
[M+NH4]+ 328.10700 178.0
[M+K]+ 349.03634 169.3
[M+H-H2O]+ 293.07044 157.7
[M+HCOO]- 355.07138 171.5
[M+CH3COO]- 369.08703 197.8
[M+Na-2H]- 331.04785 162.3
[M]+ 310.07263 162.5
[M]- 310.07373 162.5
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.