CID 376332

Nsc657164

Structural Information

Molecular Formula
C24H20F6N4O4
SMILES
C1C(=O)N(CC(=O)N1CCN2CC(=O)N(CC2=O)C3=CC=CC(=C3)C(F)(F)F)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C24H20F6N4O4/c25-23(26,27)15-3-1-5-17(9-15)33-13-19(35)31(11-21(33)37)7-8-32-12-22(38)34(14-20(32)36)18-6-2-4-16(10-18)24(28,29)30/h1-6,9-10H,7-8,11-14H2
InChIKey
PAUMLIPRWJWMSM-UHFFFAOYSA-N
Compound name
1-[2-[2,5-dioxo-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

542.13885 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 543.14613 233.1
[M+Na]+ 565.12807 240.4
[M-H]- 541.13157 232.2
[M+NH4]+ 560.17267 231.8
[M+K]+ 581.10201 231.8
[M+H-H2O]+ 525.13611 214.8
[M+HCOO]- 587.13705 233.6
[M+CH3COO]- 601.15270 247.4
[M+Na-2H]- 563.11352 227.4
[M]+ 542.13830 221.8
[M]- 542.13940 221.8
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.