CID 6449933

Ivfru

Structural Information

Molecular Formula
C11H12FIN2O5
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F)/C=C/I
InChI
InChI=1S/C11H12FIN2O5/c12-7-8(17)6(4-16)20-10(7)15-3-5(1-2-13)9(18)14-11(15)19/h1-3,6-8,10,16-17H,4H2,(H,14,18,19)/b2-1+/t6-,7+,8-,10-/m1/s1
InChIKey
PZPQPNSQTAMTEX-TUSGKMHUSA-N
Compound name
1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(E)-2-iodoethenyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

111
Patents

397.9775 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.98478 169.4
[M+Na]+ 420.96672 172.2
[M-H]- 396.97022 163.1
[M+NH4]+ 416.01132 176.7
[M+K]+ 436.94066 173.9
[M+H-H2O]+ 380.97476 158.2
[M+HCOO]- 442.97570 179.9
[M+CH3COO]- 456.99135 200.6
[M+Na-2H]- 418.95217 157.1
[M]+ 397.97695 165.3
[M]- 397.97805 165.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.