CID 371876

Nsc646440

Structural Information

Molecular Formula
C10H13BrFN5O4
SMILES
CC1(C(N(C(=O)NC1=O)C2CC(C(O2)CO)F)N=[N+]=[N-])Br
InChI
InChI=1S/C10H13BrFN5O4/c1-10(11)7(15-16-13)17(9(20)14-8(10)19)6-2-4(12)5(3-18)21-6/h4-7,18H,2-3H2,1H3,(H,14,19,20)
InChIKey
IDWBYDBXZDJTCY-UHFFFAOYSA-N
Compound name
6-azido-5-bromo-1-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

365.0135 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.02078 169.8
[M+Na]+ 388.00272 179.3
[M-H]- 364.00622 175.6
[M+NH4]+ 383.04732 184.6
[M+K]+ 403.97666 163.7
[M+H-H2O]+ 348.01076 171.2
[M+HCOO]- 410.01170 186.7
[M+CH3COO]- 424.02735 206.9
[M+Na-2H]- 385.98817 175.4
[M]+ 365.01295 182.0
[M]- 365.01405 182.0
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.