CID 3859567

618441-58-0

Structural Information

Molecular Formula

C₁₇H₁₆N₂O

SMILES

CC1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=CC=C3)CO

InChI

InChI=1S/C17H16N2O/c1-13-7-9-16(10-8-13)19-11-15(12-20)17(18-19)14-5-3-2-4-6-14/h2-11,20H,12H2,1H3

InChIKey

IXGOWCOSYJKTFT-UHFFFAOYSA-N

Compound name

[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 264.12625 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.