CID 73478

3-brtc

Structural Information

Molecular Formula
C8H12N4O5
SMILES
C([C@@H]1[C@H]([C@H]([C@@H](O1)C2=NC(=NN2)C(=O)N)O)O)O
InChI
InChI=1S/C8H12N4O5/c9-6(16)8-10-7(11-12-8)5-4(15)3(14)2(1-13)17-5/h2-5,13-15H,1H2,(H2,9,16)(H,10,11,12)/t2-,3-,4-,5-/m1/s1
InChIKey
UZAZHIXEGDBPKD-TXICZTDVSA-N
Compound name
5-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-1,2,4-triazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

81
Patents

244.08076 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08804 151.7
[M+Na]+ 267.06998 158.7
[M-H]- 243.07348 150.6
[M+NH4]+ 262.11458 163.9
[M+K]+ 283.04392 156.8
[M+H-H2O]+ 227.07802 144.6
[M+HCOO]- 289.07896 166.2
[M+CH3COO]- 303.09461 184.5
[M+Na-2H]- 265.05543 150.3
[M]+ 244.08021 147.8
[M]- 244.08131 147.8
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

patents stripe