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]+ 267.112806 159.8
[M+Na]+ 289.094748 168.6
[M-H]- 265.098254 165.2
[M+NH4]+ 284.139353 173.9
[M+K]+ 305.068688 162.7
[M+H-H2O]+ 249.102790 150.9
[M+HCOO]- 311.103731 180.4
[M+CH3COO]- 325.119381 171.4
[M+Na-2H]- 287.080196 163.5
[M]+ 266.10498142 159.1
[M]- 266.10607858 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.