CID 506458

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

Structural Information

Molecular Formula
C28H22FN3O4
SMILES
C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CN(C4=CC=CC=C43)C(=O)C5=CC=CC=C5F
InChI
InChI=1S/C28H22FN3O4/c29-23-12-6-4-11-21(23)27(35)32-18-22(20-10-5-7-13-24(20)32)25(33)28(36)31-16-14-30(15-17-31)26(34)19-8-2-1-3-9-19/h1-13,18H,14-17H2
InChIKey
NTDOJHJKEVPTLY-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-[1-(2-fluorobenzoyl)indol-3-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.15942 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.16670 214.2
[M+Na]+ 506.14864 218.7
[M-H]- 482.15214 222.1
[M+NH4]+ 501.19324 218.3
[M+K]+ 522.12258 212.3
[M+H-H2O]+ 466.15668 200.6
[M+HCOO]- 528.15762 225.8
[M+CH3COO]- 542.17327 220.2
[M+Na-2H]- 504.13409 210.1
[M]+ 483.15887 211.4
[M]- 483.15997 211.4
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

No patent data available for this compound.