CID 5274316

2,4(1h,3h)-pyrimidinedione, 1-[5-o-[(ethylamino)sulfonyl]-b-d-glycero-pentofuranosyl]-

Structural Information

Molecular Formula
C11H17N3O8S
SMILES
CCNS(=O)(=O)OC[C@@H]1C(C([C@@H](O1)N2C=CC(=O)NC2=O)O)O
InChI
InChI=1S/C11H17N3O8S/c1-2-12-23(19,20)21-5-6-8(16)9(17)10(22-6)14-4-3-7(15)13-11(14)18/h3-4,6,8-10,12,16-17H,2,5H2,1H3,(H,13,15,18)/t6-,8?,9?,10-/m1/s1
InChIKey
VOHMDQMWWKRTMS-UHMNONSZSA-N
Compound name
[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl N-ethylsulfamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.07364 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.08092 172.9
[M+Na]+ 374.06286 180.5
[M-H]- 350.06636 174.6
[M+NH4]+ 369.10746 181.8
[M+K]+ 390.03680 177.9
[M+H-H2O]+ 334.07090 166.3
[M+HCOO]- 396.07184 184.7
[M+CH3COO]- 410.08749 202.9
[M+Na-2H]- 372.04831 174.3
[M]+ 351.07309 176.4
[M]- 351.07419 176.4
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.