CID 512180

[(1s,3r,4r)-3-acetoxy-4-(5-bromo-2,4-dioxo-pyrimidin-1-yl)cyclopentyl]methyl acetate

Structural Information

Molecular Formula
C14H17BrN2O6
SMILES
CC(=O)OC[C@H]1C[C@H]([C@@H](C1)OC(=O)C)N2C=C(C(=O)NC2=O)Br
InChI
InChI=1S/C14H17BrN2O6/c1-7(18)22-6-9-3-11(12(4-9)23-8(2)19)17-5-10(15)13(20)16-14(17)21/h5,9,11-12H,3-4,6H2,1-2H3,(H,16,20,21)/t9-,11+,12+/m0/s1
InChIKey
FYHUGDOHZFPYND-MVWJERBFSA-N
Compound name
[(1S,3R,4R)-3-acetyloxy-4-(5-bromo-2,4-dioxopyrimidin-1-yl)cyclopentyl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.027 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.03428 173.3
[M+Na]+ 411.01622 184.1
[M-H]- 387.01972 179.2
[M+NH4]+ 406.06082 187.4
[M+K]+ 426.99016 173.6
[M+H-H2O]+ 371.02426 171.7
[M+HCOO]- 433.02520 189.1
[M+CH3COO]- 447.04085 210.3
[M+Na-2H]- 409.00167 172.6
[M]+ 388.02645 194.1
[M]- 388.02755 194.1
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.