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]+ 417.096076 196.2
[M+Na]+ 439.078018 206.6
[M-H]- 415.081524 208.7
[M+NH4]+ 434.122623 209.3
[M+K]+ 455.051958 192.9
[M+H-H2O]+ 399.086060 192.7
[M+HCOO]- 461.087001 214.4
[M+CH3COO]- 475.102651 207.8
[M+Na-2H]- 437.063466 197.3
[M]+ 416.08825142 214.6
[M]- 416.08934858 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.