CID 94473

36411-52-6

Structural Information

Molecular Formula
C9H8N4O2
SMILES
C1=CC=C(C(=C1)C(=O)NC2=NC=NN2)O
InChI
InChI=1S/C9H8N4O2/c14-7-4-2-1-3-6(7)8(15)12-9-10-5-11-13-9/h1-5,14H,(H2,10,11,12,13,15)
InChIKey
MZZYGYNZAOVRTG-UHFFFAOYSA-N
Compound name
2-hydroxy-N-(1H-1,2,4-triazol-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

9879
Patents

204.06473 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.072006 141.6
[M+Na]+ 227.053948 149.4
[M-H]- 203.057454 142.3
[M+NH4]+ 222.098553 156.3
[M+K]+ 243.027888 145.6
[M+H-H2O]+ 187.061990 133.0
[M+HCOO]- 249.062931 162.1
[M+CH3COO]- 263.078581 179.7
[M+Na-2H]- 225.039396 147.5
[M]+ 204.06418142 138.6
[M]- 204.06527858 138.6
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