CID 6481020

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

Structural Information

Molecular Formula
C10H10N4O2
SMILES
CC1=CC(=C(C=C1)C(=O)NN2C=NC=N2)O
InChI
InChI=1S/C10H10N4O2/c1-7-2-3-8(9(15)4-7)10(16)13-14-6-11-5-12-14/h2-6,15H,1H3,(H,13,16)
InChIKey
DACMWVZXDPLHEQ-UHFFFAOYSA-N
Compound name
2-hydroxy-4-methyl-N-(1,2,4-triazol-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

218.08037 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.08765 146.1
[M+Na]+ 241.06959 154.9
[M-H]- 217.07309 148.5
[M+NH4]+ 236.11419 161.3
[M+K]+ 257.04353 151.7
[M+H-H2O]+ 201.07763 137.4
[M+HCOO]- 263.07857 167.9
[M+CH3COO]- 277.09422 186.3
[M+Na-2H]- 239.05504 151.2
[M]+ 218.07982 145.8
[M]- 218.08092 145.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.