CID 5177862

1-(2,4-dimethylphenyl)-3,5-diphenyl-1h-pyrazole

Structural Information

Molecular Formula
C23H20N2
SMILES
CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C23H20N2/c1-17-13-14-22(18(2)15-17)25-23(20-11-7-4-8-12-20)16-21(24-25)19-9-5-3-6-10-19/h3-16H,1-2H3
InChIKey
CRAFVFBHLRLVMP-UHFFFAOYSA-N
Compound name
1-(2,4-dimethylphenyl)-3,5-diphenylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.16266 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.169936 179.7
[M+Na]+ 347.151878 188.7
[M-H]- 323.155384 190.3
[M+NH4]+ 342.196483 192.5
[M+K]+ 363.125818 180.9
[M+H-H2O]+ 307.159920 168.5
[M+HCOO]- 369.160861 201.5
[M+CH3COO]- 383.176511 190.9
[M+Na-2H]- 345.137326 181.6
[M]+ 324.16211142 179.7
[M]- 324.16320858 179.7
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.