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]+ 267.12404 161.5
[M+Na]+ 289.10598 171.3
[M-H]- 265.10948 165.4
[M+NH4]+ 284.15058 173.5
[M+K]+ 305.07992 165.2
[M+H-H2O]+ 249.11402 150.8
[M+HCOO]- 311.11496 180.9
[M+CH3COO]- 325.13061 172.7
[M+Na-2H]- 287.09143 165.9
[M]+ 266.11621 161.8
[M]- 266.11731 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.