CID 882911

36640-56-9

Structural Information

Molecular Formula
C17H16N2O2
SMILES
COC1=CC=C(C=C1)C2=NN(C=C2CO)C3=CC=CC=C3
InChI
InChI=1S/C17H16N2O2/c1-21-16-9-7-13(8-10-16)17-14(12-20)11-19(18-17)15-5-3-2-4-6-15/h2-11,20H,12H2,1H3
InChIKey
HRAFYYRYVAHBEW-UHFFFAOYSA-N
Compound name
[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

5
Patents

280.1212 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.128476 164.2
[M+Na]+ 303.110418 172.9
[M-H]- 279.113924 170.6
[M+NH4]+ 298.155023 178.4
[M+K]+ 319.084358 167.7
[M+H-H2O]+ 263.118460 154.7
[M+HCOO]- 325.119401 185.9
[M+CH3COO]- 339.135051 175.9
[M+Na-2H]- 301.095866 167.7
[M]+ 280.12065142 165.6
[M]- 280.12174858 165.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe