CID 3012933

1-(2,4-difluorophenyl)-5-(4-fluorophenyl)-4-[imidazol-1-yl(phenyl)methyl]pyrazole

Structural Information

Molecular Formula
C25H17F3N4
SMILES
C1=CC=C(C=C1)C(C2=C(N(N=C2)C3=C(C=C(C=C3)F)F)C4=CC=C(C=C4)F)N5C=CN=C5
InChI
InChI=1S/C25H17F3N4/c26-19-8-6-18(7-9-19)25-21(15-30-32(25)23-11-10-20(27)14-22(23)28)24(31-13-12-29-16-31)17-4-2-1-3-5-17/h1-16,24H
InChIKey
WAWLAOCWGUBPBD-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)-5-(4-fluorophenyl)-4-[imidazol-1-yl(phenyl)methyl]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

430.14053 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.14781 198.8
[M+Na]+ 453.12975 209.3
[M-H]- 429.13325 207.1
[M+NH4]+ 448.17435 205.8
[M+K]+ 469.10369 199.3
[M+H-H2O]+ 413.13779 183.4
[M+HCOO]- 475.13873 216.1
[M+CH3COO]- 489.15438 207.6
[M+Na-2H]- 451.11520 196.0
[M]+ 430.13998 197.4
[M]- 430.14108 197.4
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.