CID 479258

5-amino-2-[(2r,5s)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1,2,4-triazin-3-one

Structural Information

Molecular Formula
C7H10N4O3S
SMILES
C1[C@H](O[C@H](S1)CO)N2C(=O)N=C(C=N2)N
InChI
InChI=1S/C7H10N4O3S/c8-4-1-9-11(7(13)10-4)5-3-15-6(2-12)14-5/h1,5-6,12H,2-3H2,(H2,8,10,13)/t5-,6+/m0/s1
InChIKey
ILRJYTPZGLOESJ-NTSWFWBYSA-N
Compound name
5-amino-2-[(2R,5S)-2-(hydroxymethyl)-1,3-oxathiolan-5-yl]-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

230.04736 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.05464 146.6
[M+Na]+ 253.03658 156.2
[M-H]- 229.04008 149.2
[M+NH4]+ 248.08118 160.7
[M+K]+ 269.01052 153.6
[M+H-H2O]+ 213.04462 139.1
[M+HCOO]- 275.04556 161.2
[M+CH3COO]- 289.06121 184.6
[M+Na-2H]- 251.02203 148.1
[M]+ 230.04681 146.8
[M]- 230.04791 146.8
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.