CID 37542

Ribavirin

Structural Information

Molecular Formula
C8H12N4O5
SMILES
C1=NC(=NN1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)C(=O)N
InChI
InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m1/s1
InChIKey
IWUCXVSUMQZMFG-AFCXAGJDSA-N
Compound name
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

12714
References

115089
Patents

244.08076 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08804 150.9
[M+Na]+ 267.06998 158.4
[M-H]- 243.07348 151.2
[M+NH4]+ 262.11458 163.9
[M+K]+ 283.04392 157.3
[M+H-H2O]+ 227.07802 143.7
[M+HCOO]- 289.07896 167.0
[M+CH3COO]- 303.09461 186.5
[M+Na-2H]- 265.05543 150.1
[M]+ 244.08021 148.9
[M]- 244.08131 148.9
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