CID 506412

1-(4-benzoylpiperazin-1-yl)-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]ethane-1,2-dione

Structural Information

Molecular Formula
C29H24F3N3O3
SMILES
C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CN(C4=CC=CC=C43)CC5=CC(=CC=C5)C(F)(F)F
InChI
InChI=1S/C29H24F3N3O3/c30-29(31,32)22-10-6-7-20(17-22)18-35-19-24(23-11-4-5-12-25(23)35)26(36)28(38)34-15-13-33(14-16-34)27(37)21-8-2-1-3-9-21/h1-12,17,19H,13-16,18H2
InChIKey
DNWPEUHNUIKGNV-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

519.177 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 520.18428 224.2
[M+Na]+ 542.16622 229.0
[M-H]- 518.16972 229.3
[M+NH4]+ 537.21082 227.1
[M+K]+ 558.14016 221.2
[M+H-H2O]+ 502.17426 208.9
[M+HCOO]- 564.17520 232.2
[M+CH3COO]- 578.19085 228.8
[M+Na-2H]- 540.15167 220.2
[M]+ 519.17645 219.1
[M]- 519.17755 219.1
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.