CID 373958

Nsc650990

Structural Information

Molecular Formula
C18H21IN2O11
SMILES
CC(=O)OCC1C(C(C(C(O1)N2C=C(C(=O)NC2=O)I)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C18H21IN2O11/c1-7(22)28-6-12-13(29-8(2)23)14(30-9(3)24)15(31-10(4)25)17(32-12)21-5-11(19)16(26)20-18(21)27/h5,12-15,17H,6H2,1-4H3,(H,20,26,27)
InChIKey
UDGXUCXYLABAHY-UHFFFAOYSA-N
Compound name
[3,4,5-triacetyloxy-6-(5-iodo-2,4-dioxopyrimidin-1-yl)oxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

568.019 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.02628 204.8
[M+Na]+ 591.00822 203.9
[M-H]- 567.01172 201.7
[M+NH4]+ 586.05282 204.2
[M+K]+ 606.98216 211.5
[M+H-H2O]+ 551.01626 192.3
[M+HCOO]- 613.01720 212.6
[M+CH3COO]- 627.03285 237.3
[M+Na-2H]- 588.99367 189.3
[M]+ 568.01845 209.5
[M]- 568.01955 209.5
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.