CID 15955846

Imidazo[1,2-a]-1,3,5-triazin-4(8h)-one, 2-amino-8-(3-deoxy-b-d-erythro-pentofuranosyl)-

Structural Information

Molecular Formula
C10H13N5O4
SMILES
C1[C@H](O[C@H]([C@@H]1O)N2C=CN3C2=NC(=NC3=O)N)CO
InChI
InChI=1S/C10H13N5O4/c11-8-12-9-14(1-2-15(9)10(18)13-8)7-6(17)3-5(4-16)19-7/h1-2,5-7,16-17H,3-4H2,(H2,11,13,18)/t5-,6+,7+/m0/s1
InChIKey
OCAOBDAZZBCZNY-RRKCRQDMSA-N
Compound name
2-amino-8-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazo[1,2-a][1,3,5]triazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

267.09674 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.104016 156.5
[M+Na]+ 290.085958 167.5
[M-H]- 266.089464 158.6
[M+NH4]+ 285.130563 169.5
[M+K]+ 306.059898 164.5
[M+H-H2O]+ 250.094000 148.8
[M+HCOO]- 312.094941 174.2
[M+CH3COO]- 326.110591 168.1
[M+Na-2H]- 288.071406 158.6
[M]+ 267.09619142 157.7
[M]- 267.09728858 157.7
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.