CID 506465

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

Structural Information

Molecular Formula
C29H24FN3O5
SMILES
COC1=CC=C(C=C1)C(=O)N2C=C(C3=C2C=CC=C3F)C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5
InChI
InChI=1S/C29H24FN3O5/c1-38-21-12-10-20(11-13-21)28(36)33-18-22(25-23(30)8-5-9-24(25)33)26(34)29(37)32-16-14-31(15-17-32)27(35)19-6-3-2-4-7-19/h2-13,18H,14-17H2,1H3
InChIKey
HXBXVBQMDWLDAN-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-1-(4-methoxybenzoyl)indol-3-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

513.17 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 514.17728 221.1
[M+Na]+ 536.15922 225.6
[M-H]- 512.16272 229.2
[M+NH4]+ 531.20382 224.1
[M+K]+ 552.13316 220.1
[M+H-H2O]+ 496.16726 207.4
[M+HCOO]- 558.16820 232.4
[M+CH3COO]- 572.18385 226.8
[M+Na-2H]- 534.14467 216.1
[M]+ 513.16945 220.3
[M]- 513.17055 220.3
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.