CID 45934289

1069473-56-8

Structural Information

Molecular Formula
C16H15N3O
SMILES
CC1=CC=CC=C1C2=NN=C(N2C3=CC=C(C=C3)O)C
InChI
InChI=1S/C16H15N3O/c1-11-5-3-4-6-15(11)16-18-17-12(2)19(16)13-7-9-14(20)10-8-13/h3-10,20H,1-2H3
InChIKey
GINQGXZZJJBLDS-UHFFFAOYSA-N
Compound name
4-[3-methyl-5-(2-methylphenyl)-1,2,4-triazol-4-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.12152 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12880 161.6
[M+Na]+ 288.11074 171.9
[M-H]- 264.11424 167.2
[M+NH4]+ 283.15534 175.4
[M+K]+ 304.08468 165.9
[M+H-H2O]+ 248.11878 151.9
[M+HCOO]- 310.11972 182.1
[M+CH3COO]- 324.13537 173.5
[M+Na-2H]- 286.09619 164.8
[M]+ 265.12097 162.2
[M]- 265.12207 162.2
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.