CID 16717804

Pyrazole derivative 7

Structural Information

Molecular Formula
C28H23Cl2F2N5O3
SMILES
COC1=C(N(N=C1C(=O)NN2CCN(CC2)C(=O)C3=C(C=C(C=C3)F)F)C4=CC=CC=C4Cl)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C28H23Cl2F2N5O3/c1-40-26-24(33-37(23-5-3-2-4-21(23)30)25(26)17-6-8-18(29)9-7-17)27(38)34-36-14-12-35(13-15-36)28(39)20-11-10-19(31)16-22(20)32/h2-11,16H,12-15H2,1H3,(H,34,38)
InChIKey
RXXJWLVGDKFAMN-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-4-methoxypyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

585.1146 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 586.12188 233.5
[M+Na]+ 608.10382 247.2
[M+NH4]+ 603.14842 236.8
[M+K]+ 624.07776 241.0
[M-H]- 584.10732 237.6
[M+Na-2H]- 606.08927 240.5
[M]+ 585.11405 236.9
[M]- 585.11515 236.9
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

patents stripe