CID 125384

5-mome-dct

Structural Information

Molecular Formula
C11H17N3O5
SMILES
COCC1=CN(C(=O)N=C1N)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C11H17N3O5/c1-18-5-6-3-14(11(17)13-10(6)12)9-2-7(16)8(4-15)19-9/h3,7-9,15-16H,2,4-5H2,1H3,(H2,12,13,17)/t7-,8+,9+/m0/s1
InChIKey
IEYXVEIKPXIXML-DJLDLDEBSA-N
Compound name
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(methoxymethyl)pyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

271.11682 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12410 159.4
[M+Na]+ 294.10604 167.6
[M-H]- 270.10954 161.8
[M+NH4]+ 289.15064 172.0
[M+K]+ 310.07998 165.8
[M+H-H2O]+ 254.11408 151.7
[M+HCOO]- 316.11502 177.5
[M+CH3COO]- 330.13067 194.9
[M+Na-2H]- 292.09149 160.3
[M]+ 271.11627 160.0
[M]- 271.11737 160.0
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