CID 764769

5-methoxy-2-(4-phenyl-1h-pyrazol-3-yl)phenol

Structural Information

Molecular Formula
C16H14N2O2
SMILES
COC1=CC(=C(C=C1)C2=C(C=NN2)C3=CC=CC=C3)O
InChI
InChI=1S/C16H14N2O2/c1-20-12-7-8-13(15(19)9-12)16-14(10-17-18-16)11-5-3-2-4-6-11/h2-10,19H,1H3,(H,17,18)
InChIKey
IECKKLKMMOXCGB-UHFFFAOYSA-N
Compound name
5-methoxy-2-(4-phenyl-1H-pyrazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.10553 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.11281 159.8
[M+Na]+ 289.09475 168.6
[M-H]- 265.09825 165.2
[M+NH4]+ 284.13935 173.9
[M+K]+ 305.06869 162.7
[M+H-H2O]+ 249.10279 150.9
[M+HCOO]- 311.10373 180.4
[M+CH3COO]- 325.11938 171.4
[M+Na-2H]- 287.08020 163.5
[M]+ 266.10498 159.1
[M]- 266.10608 159.1
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.