CID 211875

23701-72-6

Structural Information

Molecular Formula
C9H14N4O5
SMILES
CC1=NN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChI
InChI=1S/C9H14N4O5/c1-3-7(10)11-9(17)13(12-3)8-6(16)5(15)4(2-14)18-8/h4-6,8,14-16H,2H2,1H3,(H2,10,11,17)/t4-,5-,6-,8-/m1/s1
InChIKey
JVNBACRJAZZHPP-UAKXSSHOSA-N
Compound name
5-amino-2-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

258.0964 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.10368 157.2
[M+Na]+ 281.08562 166.4
[M+NH4]+ 276.13022 160.5
[M+K]+ 297.05956 167.2
[M-H]- 257.08912 157.0
[M+Na-2H]- 279.07107 157.9
[M]+ 258.09585 157.8
[M]- 258.09695 157.8
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