CID 5271354

1h-1,2,4-triazole-3-carboxamide, 1-(5-o-phosphonamide-.beta.-d-ribofuranosyl)-

Structural Information

Molecular Formula
C8H14N5O7P
SMILES
C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(N)O)O)O)C(=O)N
InChI
InChI=1S/C8H14N5O7P/c9-6(16)7-11-2-13(12-7)8-5(15)4(14)3(20-8)1-19-21(10,17)18/h2-5,8,14-15H,1H2,(H2,9,16)(H3,10,17,18)/t3-,4-,5-,8-/m1/s1
InChIKey
XEPAHLZHAKEDOL-AFCXAGJDSA-N
Compound name
[(2R,3S,4R,5R)-5-(3-carbamoyl-1,2,4-triazol-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxyphosphonamidic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.06308 Da
Monoisotopic Mass

-3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.07036 165.1
[M+Na]+ 346.05230 169.8
[M-H]- 322.05580 163.8
[M+NH4]+ 341.09690 174.2
[M+K]+ 362.02624 170.6
[M+H-H2O]+ 306.06034 155.5
[M+HCOO]- 368.06128 185.1
[M+CH3COO]- 382.07693 203.3
[M+Na-2H]- 344.03775 162.8
[M]+ 323.06253 163.1
[M]- 323.06363 163.1
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.