CID 15953945

Nsc693096

Structural Information

Molecular Formula
C12H17N3O6
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)CC(=O)N)O
InChI
InChI=1S/C12H17N3O6/c1-5-3-15(12(20)14-10(5)19)11-9(18)6(2-8(13)17)7(4-16)21-11/h3,6-7,9,11,16,18H,2,4H2,1H3,(H2,13,17)(H,14,19,20)/t6-,7-,9-,11-/m1/s1
InChIKey
IIMMKRMFMSVQRA-LUQPRHOASA-N
Compound name
2-[(2S,3S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.11172 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.11900 165.8
[M+Na]+ 322.10094 174.1
[M-H]- 298.10444 167.3
[M+NH4]+ 317.14554 176.5
[M+K]+ 338.07488 171.3
[M+H-H2O]+ 282.10898 158.6
[M+HCOO]- 344.10992 181.5
[M+CH3COO]- 358.12557 199.4
[M+Na-2H]- 320.08639 164.0
[M]+ 299.11117 164.8
[M]- 299.11227 164.8
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.