CID 494935

Nsc638024

Structural Information

Molecular Formula
C13H17N3O9
SMILES
CCOC(=O)NC(=O)C1=CN(C(=O)NC1=O)[C@@H]2[C@H]([C@H]([C@@H](O2)CO)O)O
InChI
InChI=1S/C13H17N3O9/c1-2-24-13(23)15-10(21)5-3-16(12(22)14-9(5)20)11-8(19)7(18)6(4-17)25-11/h3,6-8,11,17-19H,2,4H2,1H3,(H,14,20,22)(H,15,21,23)/t6-,7-,8-,11-/m0/s1
InChIKey
RXVANWAGBRZRSN-UGYAYLCHSA-N
Compound name
ethyl N-[1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidine-5-carbonyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.09647 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.10375 175.1
[M+Na]+ 382.08569 181.6
[M-H]- 358.08919 175.7
[M+NH4]+ 377.13029 182.4
[M+K]+ 398.05963 180.6
[M+H-H2O]+ 342.09373 167.5
[M+HCOO]- 404.09467 189.3
[M+CH3COO]- 418.11032 207.0
[M+Na-2H]- 380.07114 173.2
[M]+ 359.09592 176.3
[M]- 359.09702 176.3
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.