CID 177546114

Dact-hcl+glc

Structural Information

Molecular Formula
C9H15N5O5
SMILES
C1=NC(=NC(=N1)N[C@H]2[C@H]([C@H]([C@H]([C@@H](O2)CO)O)O)O)N
InChI
InChI=1S/C9H15N5O5/c10-8-11-2-12-9(14-8)13-7-6(18)5(17)4(16)3(1-15)19-7/h2-7,15-18H,1H2,(H3,10,11,12,13,14)/t3-,4-,5-,6-,7+/m0/s1
InChIKey
ZTZVKQCAJAPCNE-AZEWMMITSA-N
Compound name
(2R,3S,4S,5R,6S)-2-[(4-amino-1,3,5-triazin-2-yl)amino]-6-(hydroxymethyl)oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

273.10733 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.11461 163.0
[M+Na]+ 296.09655 169.4
[M-H]- 272.10005 161.3
[M+NH4]+ 291.14115 170.4
[M+K]+ 312.07049 166.7
[M+H-H2O]+ 256.10459 154.0
[M+HCOO]- 318.10553 176.0
[M+CH3COO]- 332.12118 194.9
[M+Na-2H]- 294.08200 165.7
[M]+ 273.10678 157.8
[M]- 273.10788 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

No patent data available for this compound.