CID 6481016

2-hydroxy-n-(1,2,4-triazol-1-yl)benzamide

Structural Information

Molecular Formula
C9H8N4O2
SMILES
C1=CC=C(C(=C1)C(=O)NN2C=NC=N2)O
InChI
InChI=1S/C9H8N4O2/c14-8-4-2-1-3-7(8)9(15)12-13-6-10-5-11-13/h1-6,14H,(H,12,15)
InChIKey
BRTPQAVOHMEJTK-UHFFFAOYSA-N
Compound name
2-hydroxy-N-(1,2,4-triazol-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

184
Patents

204.06473 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.072006 141.2
[M+Na]+ 227.053948 149.4
[M-H]- 203.057454 143.3
[M+NH4]+ 222.098553 156.6
[M+K]+ 243.027888 146.4
[M+H-H2O]+ 187.061990 132.3
[M+HCOO]- 249.062931 163.2
[M+CH3COO]- 263.078581 182.1
[M+Na-2H]- 225.039396 147.5
[M]+ 204.06418142 140.0
[M]- 204.06527858 140.0
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