CID 6481027

Schembl3957238

Structural Information

Molecular Formula
C10H10N4O3
SMILES
COC1=CC(=C(C=C1)C(=O)NC2=NC=NN2)O
InChI
InChI=1S/C10H10N4O3/c1-17-6-2-3-7(8(15)4-6)9(16)13-10-11-5-12-14-10/h2-5,15H,1H3,(H2,11,12,13,14,16)
InChIKey
PFBCMGQBSJUWFM-UHFFFAOYSA-N
Compound name
2-hydroxy-4-methoxy-N-(1H-1,2,4-triazol-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

234.07529 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.08257 149.0
[M+Na]+ 257.06451 157.1
[M-H]- 233.06801 150.0
[M+NH4]+ 252.10911 162.7
[M+K]+ 273.03845 153.6
[M+H-H2O]+ 217.07255 140.3
[M+HCOO]- 279.07349 169.4
[M+CH3COO]- 293.08914 186.1
[M+Na-2H]- 255.04996 153.7
[M]+ 234.07474 148.2
[M]- 234.07584 148.2
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