CID 506413

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

Structural Information

Molecular Formula
C29H27N3O3
SMILES
CC1=CC=C(C=C1)CN2C=C(C3=CC=CC=C32)C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5
InChI
InChI=1S/C29H27N3O3/c1-21-11-13-22(14-12-21)19-32-20-25(24-9-5-6-10-26(24)32)27(33)29(35)31-17-15-30(16-18-31)28(34)23-7-3-2-4-8-23/h2-14,20H,15-19H2,1H3
InChIKey
XZNLTZYURPKNNQ-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.20523 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.21251 214.6
[M+Na]+ 488.19445 218.8
[M-H]- 464.19795 223.4
[M+NH4]+ 483.23905 219.7
[M+K]+ 504.16839 211.8
[M+H-H2O]+ 448.20249 201.4
[M+HCOO]- 510.20343 227.5
[M+CH3COO]- 524.21908 220.9
[M+Na-2H]- 486.17990 211.2
[M]+ 465.20468 212.7
[M]- 465.20578 212.7
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.