CID 5271358

1-[(4ar,6r,7r,7as)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4h-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,2,4-triazole-3-carboxamide

Structural Information

Molecular Formula
C8H11N4O7P
SMILES
C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC(=N3)C(=O)N)O)OP(=O)(O1)O
InChI
InChI=1S/C8H11N4O7P/c9-6(14)7-10-2-12(11-7)8-4(13)5-3(18-8)1-17-20(15,16)19-5/h2-5,8,13H,1H2,(H2,9,14)(H,15,16)/t3-,4-,5-,8-/m1/s1
InChIKey
HHTMWYYRXSOOES-AFCXAGJDSA-N
Compound name
1-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-1,2,4-triazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

306.03653 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.04381 162.0
[M+Na]+ 329.02575 168.9
[M-H]- 305.02925 164.0
[M+NH4]+ 324.07035 173.2
[M+K]+ 344.99969 171.3
[M+H-H2O]+ 289.03379 153.7
[M+HCOO]- 351.03473 179.6
[M+CH3COO]- 365.05038 199.0
[M+Na-2H]- 327.01120 161.3
[M]+ 306.03598 162.1
[M]- 306.03708 162.1
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.