CID 15956150

Schembl203189

Structural Information

Molecular Formula
C11H17N3O5
SMILES
CN(C)C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C11H17N3O5/c1-13(2)6-4-14(11(18)12-10(6)17)9-3-7(16)8(5-15)19-9/h4,7-9,15-16H,3,5H2,1-2H3,(H,12,17,18)/t7-,8+,9+/m0/s1
InChIKey
YVOYWIWAVSLUKN-DJLDLDEBSA-N
Compound name
5-(dimethylamino)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

141
Patents

271.11682 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12410 158.6
[M+Na]+ 294.10604 166.9
[M-H]- 270.10954 161.7
[M+NH4]+ 289.15064 171.4
[M+K]+ 310.07998 165.3
[M+H-H2O]+ 254.11408 151.2
[M+HCOO]- 316.11502 176.5
[M+CH3COO]- 330.13067 195.7
[M+Na-2H]- 292.09149 159.4
[M]+ 271.11627 158.9
[M]- 271.11737 158.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe