CID 11730348

2-[[(2r,3s,5r)-3-azido-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-2-yl]methyl]-4,5,6,7-tetrafluoro-isoindoline-1,3-dione

Structural Information

Molecular Formula
C18H12F4N6O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN3C(=O)C4=C(C3=O)C(=C(C(=C4F)F)F)F)N=[N+]=[N-]
InChI
InChI=1S/C18H12F4N6O5/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
JXNGDRJMXUDACV-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-tetrafluoroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

468.08054 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.08782 205.7
[M+Na]+ 491.06976 217.4
[M-H]- 467.07326 212.0
[M+NH4]+ 486.11436 213.0
[M+K]+ 507.04370 206.2
[M+H-H2O]+ 451.07780 197.9
[M+HCOO]- 513.07874 223.7
[M+CH3COO]- 527.09439 237.6
[M+Na-2H]- 489.05521 204.3
[M]+ 468.07999 202.3
[M]- 468.08109 202.3
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.