CID 10101329

2,4(1h,3h)-pyrimidinedione, 1-[3-azido-2,3,5-trideoxy-5-(4,5,6,7-tetrabromo-1,3-dihydro-1,3-dioxo-2h-isoindol-2-yl)-.beta.-d-erythro-pentofuranosyl]-5-methyl-

Structural Information

Molecular Formula
C18H12Br4N6O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN3C(=O)C4=C(C3=O)C(=C(C(=C4Br)Br)Br)Br)N=[N+]=[N-]
InChI
InChI=1S/C18H12Br4N6O5/c1-5-3-27(18(32)24-15(5)29)8-2-6(25-26-23)7(33-8)4-28-16(30)9-10(17(28)31)12(20)14(22)13(21)11(9)19/h3,6-8H,2,4H2,1H3,(H,24,29,32)/t6-,7+,8+/m0/s1
InChIKey
VQGKYDNDJFTUCC-XLPZGREQSA-N
Compound name
2-[[(2R,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-4,5,6,7-tetrabromoisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

707.76025 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 708.76753 189.4
[M+Na]+ 730.74947 193.5
[M-H]- 706.75297 195.1
[M+NH4]+ 725.79407 194.9
[M+K]+ 746.72341 180.5
[M+H-H2O]+ 690.75751 205.7
[M+HCOO]- 752.75845 193.8
[M+CH3COO]- 766.77410 252.1
[M+Na-2H]- 728.73492 188.2
[M]+ 707.75970 227.6
[M]- 707.76080 227.6
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.