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]+ 325.16994 179.7
[M+Na]+ 347.15188 188.7
[M-H]- 323.15538 190.3
[M+NH4]+ 342.19648 192.5
[M+K]+ 363.12582 180.9
[M+H-H2O]+ 307.15992 168.5
[M+HCOO]- 369.16086 201.5
[M+CH3COO]- 383.17651 190.9
[M+Na-2H]- 345.13733 181.6
[M]+ 324.16211 179.7
[M]- 324.16321 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.