CID 68702

1-methyl-3-(3-pyridyl)-5-(2-hydroxymethylphenyl)-1h-1,2,4-triazole

Structural Information

Molecular Formula
C15H14N4O
SMILES
CN1C(=NC(=N1)C2=CN=CC=C2)C3=CC=CC=C3CO
InChI
InChI=1S/C15H14N4O/c1-19-15(13-7-3-2-5-12(13)10-20)17-14(18-19)11-6-4-8-16-9-11/h2-9,20H,10H2,1H3
InChIKey
UDBQGHIODMCIFZ-UHFFFAOYSA-N
Compound name
[2-(2-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

38
Patents

266.11676 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.124036 161.5
[M+Na]+ 289.105978 171.3
[M-H]- 265.109484 165.4
[M+NH4]+ 284.150583 173.5
[M+K]+ 305.079918 165.2
[M+H-H2O]+ 249.114020 150.8
[M+HCOO]- 311.114961 180.9
[M+CH3COO]- 325.130611 172.7
[M+Na-2H]- 287.091426 165.9
[M]+ 266.11621142 161.8
[M]- 266.11730858 161.8
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.