CID 506452

1-[1-(4-fluorobenzoyl)indol-3-yl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethane-1,2-dione

Structural Information

Molecular Formula
C28H21F2N3O4
SMILES
C1CN(CCN1C(=O)C2=CC=C(C=C2)F)C(=O)C(=O)C3=CN(C4=CC=CC=C43)C(=O)C5=CC=C(C=C5)F
InChI
InChI=1S/C28H21F2N3O4/c29-20-9-5-18(6-10-20)26(35)31-13-15-32(16-14-31)28(37)25(34)23-17-33(24-4-2-1-3-22(23)24)27(36)19-7-11-21(30)12-8-19/h1-12,17H,13-16H2
InChIKey
YIHKZHYPLMCYAD-UHFFFAOYSA-N
Compound name
1-[1-(4-fluorobenzoyl)indol-3-yl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

501.15002 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 502.15730 218.0
[M+Na]+ 524.13924 223.4
[M-H]- 500.14274 224.9
[M+NH4]+ 519.18384 221.6
[M+K]+ 540.11318 216.5
[M+H-H2O]+ 484.14728 203.6
[M+HCOO]- 546.14822 228.4
[M+CH3COO]- 560.16387 223.7
[M+Na-2H]- 522.12469 212.5
[M]+ 501.14947 214.7
[M]- 501.15057 214.7
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.