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]+ 274.114606 163.0
[M+Na]+ 296.096548 169.4
[M-H]- 272.100054 161.3
[M+NH4]+ 291.141153 170.4
[M+K]+ 312.070488 166.7
[M+H-H2O]+ 256.104590 154.0
[M+HCOO]- 318.105531 176.0
[M+CH3COO]- 332.121181 194.9
[M+Na-2H]- 294.081996 165.7
[M]+ 273.10678142 157.8
[M]- 273.10787858 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.