CID 471724

Schembl13621262

Structural Information

Molecular Formula
C9H12N4O4
SMILES
C=C1[C@@H]([C@H](O[C@H]1N2C=NC(=NC2=O)N)CO)O
InChI
InChI=1S/C9H12N4O4/c1-4-6(15)5(2-14)17-7(4)13-3-11-8(10)12-9(13)16/h3,5-7,14-15H,1-2H2,(H2,10,12,16)/t5-,6+,7-/m1/s1
InChIKey
QCEHMJNMBWJRIY-DSYKOEDSSA-N
Compound name
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methylideneoxolan-2-yl]-1,3,5-triazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

240.08586 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.09314 152.7
[M+Na]+ 263.07508 162.4
[M-H]- 239.07858 154.2
[M+NH4]+ 258.11968 165.2
[M+K]+ 279.04902 159.4
[M+H-H2O]+ 223.08312 144.8
[M+HCOO]- 285.08406 170.1
[M+CH3COO]- 299.09971 188.8
[M+Na-2H]- 261.06053 154.1
[M]+ 240.08531 150.9
[M]- 240.08641 150.9
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.