CID 475509

5-[(2r,4s)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-1h-1,2,4-triazole-3-carboxamide

Structural Information

Molecular Formula
C7H10N4O4
SMILES
C1[C@@H](O[C@@H](O1)CO)C2=NC(=NN2)C(=O)N
InChI
InChI=1S/C7H10N4O4/c8-5(13)7-9-6(10-11-7)3-2-14-4(1-12)15-3/h3-4,12H,1-2H2,(H2,8,13)(H,9,10,11)/t3-,4-/m1/s1
InChIKey
XDPRXRFVJPBOIO-QWWZWVQMSA-N
Compound name
5-[(2R,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]-1H-1,2,4-triazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.0702 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.07748 144.3
[M+Na]+ 237.05942 151.2
[M-H]- 213.06292 145.7
[M+NH4]+ 232.10402 157.3
[M+K]+ 253.03336 151.2
[M+H-H2O]+ 197.06746 136.7
[M+HCOO]- 259.06840 161.0
[M+CH3COO]- 273.08405 181.0
[M+Na-2H]- 235.04487 145.9
[M]+ 214.06965 142.0
[M]- 214.07075 142.0
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.