CID 494937

Nsc638130

Structural Information

Molecular Formula
C12H15N3O9
SMILES
COC(=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/C12H15N3O9/c1-23-12(22)14-9(20)4-2-15(11(21)13-8(4)19)10-7(18)6(17)5(3-16)24-10/h2,5-7,10,16-18H,3H2,1H3,(H,13,19,21)(H,14,20,22)/t5-,6-,7-,10-/m0/s1
InChIKey
UXSFHFOZLWFQEN-QFNGTQGLSA-N
Compound name
methyl 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

345.08084 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.08812 170.7
[M+Na]+ 368.07006 177.7
[M-H]- 344.07356 171.5
[M+NH4]+ 363.11466 178.7
[M+K]+ 384.04400 176.9
[M+H-H2O]+ 328.07810 163.4
[M+HCOO]- 390.07904 185.3
[M+CH3COO]- 404.09469 204.0
[M+Na-2H]- 366.05551 169.3
[M]+ 345.08029 171.6
[M]- 345.08139 171.6
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.