CID 506414

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

Structural Information

Molecular Formula
C29H27N3O4
SMILES
C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CN(C4=CC=CC=C43)CCOC5=CC=CC=C5
InChI
InChI=1S/C29H27N3O4/c33-27(29(35)31-17-15-30(16-18-31)28(34)22-9-3-1-4-10-22)25-21-32(26-14-8-7-13-24(25)26)19-20-36-23-11-5-2-6-12-23/h1-14,21H,15-20H2
InChIKey
ZTNFCBSBXHQTAX-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-[1-(2-phenoxyethyl)indol-3-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.20016 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.20744 216.1
[M+Na]+ 504.18938 219.0
[M-H]- 480.19288 224.5
[M+NH4]+ 499.23398 220.1
[M+K]+ 520.16332 212.9
[M+H-H2O]+ 464.19742 202.5
[M+HCOO]- 526.19836 229.1
[M+CH3COO]- 540.21401 221.8
[M+Na-2H]- 502.17483 213.7
[M]+ 481.19961 215.1
[M]- 481.20071 215.1
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.