CID 10972652

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

Structural Information

Molecular Formula
C18H14Cl2N6O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN3C(=O)C4=CC(=C(C=C4C3=O)Cl)Cl)N=[N+]=[N-]
InChI
InChI=1S/C18H14Cl2N6O5/c1-7-5-25(18(30)22-15(7)27)14-4-12(23-24-21)13(31-14)6-26-16(28)8-2-10(19)11(20)3-9(8)17(26)29/h2-3,5,12-14H,4,6H2,1H3,(H,22,27,30)/t12-,13+,14+/m0/s1
InChIKey
OMFUQTLZYMKESY-BFHYXJOUSA-N
Compound name
2-[[(2R,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl]-5,6-dichloroisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

464.04028 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.04756 215.0
[M+Na]+ 487.02950 224.6
[M-H]- 463.03300 224.0
[M+NH4]+ 482.07410 223.1
[M+K]+ 503.00344 214.1
[M+H-H2O]+ 447.03754 210.3
[M+HCOO]- 509.03848 227.0
[M+CH3COO]- 523.05413 231.6
[M+Na-2H]- 485.01495 214.4
[M]+ 464.03973 217.6
[M]- 464.04083 217.6
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.