CID 514818

97975-03-6

Structural Information

Molecular Formula
C11H14Br2N2O4
SMILES
C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)CCBr)CBr)O
InChI
InChI=1S/C11H14Br2N2O4/c12-2-1-6-5-15(11(18)14-10(6)17)9-3-7(16)8(4-13)19-9/h5,7-9,16H,1-4H2,(H,14,17,18)/t7-,8+,9+/m0/s1
InChIKey
FTIWIUDVYAAVNZ-DJLDLDEBSA-N
Compound name
5-(2-bromoethyl)-1-[(2R,4S,5S)-5-(bromomethyl)-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

395.93204 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.93932 159.8
[M+Na]+ 418.92126 170.3
[M-H]- 394.92476 165.5
[M+NH4]+ 413.96586 173.3
[M+K]+ 434.89520 155.2
[M+H-H2O]+ 378.92930 166.9
[M+HCOO]- 440.93024 171.1
[M+CH3COO]- 454.94589 211.7
[M+Na-2H]- 416.90671 162.7
[M]+ 395.93149 193.7
[M]- 395.93259 193.7
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.