CID 752098

[3-(4-methylphenyl)-1-phenyl-1h-pyrazol-4-yl]methanol

Structural Information

Molecular Formula
C17H16N2O
SMILES
CC1=CC=C(C=C1)C2=NN(C=C2CO)C3=CC=CC=C3
InChI
InChI=1S/C17H16N2O/c1-13-7-9-14(10-8-13)17-15(12-20)11-19(18-17)16-5-3-2-4-6-16/h2-11,20H,12H2,1H3
InChIKey
SAUYEUZHDZKNKX-UHFFFAOYSA-N
Compound name
[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3
Patents

264.12625 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.133526 161.0
[M+Na]+ 287.115468 169.9
[M-H]- 263.118974 167.5
[M+NH4]+ 282.160073 176.0
[M+K]+ 303.089408 164.1
[M+H-H2O]+ 247.123510 151.8
[M+HCOO]- 309.124451 182.6
[M+CH3COO]- 323.140101 173.0
[M+Na-2H]- 285.100916 164.5
[M]+ 264.12570142 161.1
[M]- 264.12679858 161.1
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