CID 3858992

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

Structural Information

Molecular Formula
C24H21BrN2
SMILES
CC(C)C1=C(C=CC(=C1)Br)N2C(=CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H21BrN2/c1-17(2)21-15-20(25)13-14-23(21)27-24(19-11-7-4-8-12-19)16-22(26-27)18-9-5-3-6-10-18/h3-17H,1-2H3
InChIKey
VZJFAQNGRDFQFH-UHFFFAOYSA-N
Compound name
1-(4-bromo-2-propan-2-ylphenyl)-3,5-diphenylpyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.0888 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.09608 196.2
[M+Na]+ 439.07802 206.6
[M-H]- 415.08152 208.7
[M+NH4]+ 434.12262 209.3
[M+K]+ 455.05196 192.9
[M+H-H2O]+ 399.08606 192.7
[M+HCOO]- 461.08700 214.4
[M+CH3COO]- 475.10265 207.8
[M+Na-2H]- 437.06347 197.3
[M]+ 416.08825 214.6
[M]- 416.08935 214.6
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.