CID 452878

133488-25-2

Structural Information

Molecular Formula
C11H17N3O5
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@H](O2)[C@@H](CO)O)N
InChI
InChI=1S/C11H17N3O5/c1-5-3-14(11(18)13-10(5)17)8-2-6(12)9(19-8)7(16)4-15/h3,6-9,15-16H,2,4,12H2,1H3,(H,13,17,18)/t6-,7-,8+,9+/m1/s1
InChIKey
JQTHJBSNTDLZGU-HXFLIBJXSA-N
Compound name
1-[(2S,4R,5S)-4-amino-5-[(1R)-1,2-dihydroxyethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.11682 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12410 160.0
[M+Na]+ 294.10604 167.8
[M-H]- 270.10954 161.3
[M+NH4]+ 289.15064 171.8
[M+K]+ 310.07998 165.1
[M+H-H2O]+ 254.11408 152.8
[M+HCOO]- 316.11502 175.8
[M+CH3COO]- 330.13067 193.2
[M+Na-2H]- 292.09149 159.2
[M]+ 271.11627 157.5
[M]- 271.11737 157.5
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.