CID 506418

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

Structural Information

Molecular Formula
C26H27N3O3
SMILES
CC(=CCN1C=C(C2=CC=CC=C21)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4)C
InChI
InChI=1S/C26H27N3O3/c1-19(2)12-13-29-18-22(21-10-6-7-11-23(21)29)24(30)26(32)28-16-14-27(15-17-28)25(31)20-8-4-3-5-9-20/h3-12,18H,13-17H2,1-2H3
InChIKey
FTJLIPYPYKQRRM-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-[1-(3-methylbut-2-enyl)indol-3-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.20523 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.21251 205.7
[M+Na]+ 452.19445 209.5
[M-H]- 428.19795 211.4
[M+NH4]+ 447.23905 212.8
[M+K]+ 468.16839 203.4
[M+H-H2O]+ 412.20249 194.2
[M+HCOO]- 474.20343 218.0
[M+CH3COO]- 488.21908 228.1
[M+Na-2H]- 450.17990 201.5
[M]+ 429.20468 204.1
[M]- 429.20578 204.1
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.