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
3
Annotation Hits

12
References

8824
Patents

204.06473 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.07201 142.7
[M+Na]+ 227.05395 153.6
[M+NH4]+ 222.09855 148.5
[M+K]+ 243.02789 151.3
[M-H]- 203.05745 143.2
[M+Na-2H]- 225.03940 149.3
[M]+ 204.06418 143.9
[M]- 204.06528 143.9
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