CID 472371

Chembl610896

Structural Information

Molecular Formula
C11H17N3O4
SMILES
CC1=CN(C(=O)N=C1N)[C@@H]2CO[C@@H]([C@H]2CO)CO
InChI
InChI=1S/C11H17N3O4/c1-6-2-14(11(17)13-10(6)12)8-5-18-9(4-16)7(8)3-15/h2,7-9,15-16H,3-5H2,1H3,(H2,12,13,17)/t7-,8+,9+/m0/s1
InChIKey
IMFXJINTVAKHFE-DJLDLDEBSA-N
Compound name
4-amino-1-[(3S,4R,5S)-4,5-bis(hydroxymethyl)oxolan-3-yl]-5-methylpyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.1219 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.12918 157.3
[M+Na]+ 278.11112 165.9
[M-H]- 254.11462 159.8
[M+NH4]+ 273.15572 170.7
[M+K]+ 294.08506 163.3
[M+H-H2O]+ 238.11916 149.9
[M+HCOO]- 300.12010 175.3
[M+CH3COO]- 314.13575 192.5
[M+Na-2H]- 276.09657 158.1
[M]+ 255.12135 156.5
[M]- 255.12245 156.5
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

No patent data available for this compound.