CID 88995251

Schembl12983290

Structural Information

Molecular Formula
C27H20ClF5N4O2
SMILES
CC(C1=CC(=C(C=C1)C(=O)NC2=CC=C(C=C2)F)F)C(=O)NCC3=CC(=NN3C4=CC(=CC=C4)Cl)C(F)(F)F
InChI
InChI=1S/C27H20ClF5N4O2/c1-15(16-5-10-22(23(30)11-16)26(39)35-19-8-6-18(29)7-9-19)25(38)34-14-21-13-24(27(31,32)33)36-37(21)20-4-2-3-17(28)12-20/h2-13,15H,14H2,1H3,(H,34,38)(H,35,39)
InChIKey
SRQSJNYCMNVXTK-UHFFFAOYSA-N
Compound name
4-[1-[[2-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methylamino]-1-oxopropan-2-yl]-2-fluoro-N-(4-fluorophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

562.1195 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 563.12678 218.2
[M+Na]+ 585.10872 225.1
[M+NH4]+ 580.15332 219.0
[M+K]+ 601.08266 221.3
[M-H]- 561.11222 216.5
[M+Na-2H]- 583.09417 221.8
[M]+ 562.11895 218.4
[M]- 562.12005 218.4
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