CID 3012932

1,5-bis(4-fluorophenyl)-4-[imidazol-1-yl(phenyl)methyl]pyrazole

Structural Information

Molecular Formula
C25H18F2N4
SMILES
C1=CC=C(C=C1)C(C2=C(N(N=C2)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)N5C=CN=C5
InChI
InChI=1S/C25H18F2N4/c26-20-8-6-19(7-9-20)25-23(16-29-31(25)22-12-10-21(27)11-13-22)24(30-15-14-28-17-30)18-4-2-1-3-5-18/h1-17,24H
InChIKey
IENJZPNPJZTRAQ-UHFFFAOYSA-N
Compound name
1,5-bis(4-fluorophenyl)-4-[imidazol-1-yl(phenyl)methyl]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

412.14996 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.15724 195.3
[M+Na]+ 435.13918 204.8
[M-H]- 411.14268 204.6
[M+NH4]+ 430.18378 202.7
[M+K]+ 451.11312 195.4
[M+H-H2O]+ 395.14722 180.6
[M+HCOO]- 457.14816 213.7
[M+CH3COO]- 471.16381 204.3
[M+Na-2H]- 433.12463 193.8
[M]+ 412.14941 194.4
[M]- 412.15051 194.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.