CID 506305

1-[(2r)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(7-ethyl-1h-indol-3-yl)ethane-1,2-dione

Structural Information

Molecular Formula
C24H25N3O3
SMILES
CCC1=C2C(=CC=C1)C(=CN2)C(=O)C(=O)N3CCN(C[C@H]3C)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H25N3O3/c1-3-17-10-7-11-19-20(14-25-21(17)19)22(28)24(30)27-13-12-26(15-16(27)2)23(29)18-8-5-4-6-9-18/h4-11,14,16,25H,3,12-13,15H2,1-2H3/t16-/m1/s1
InChIKey
BZELCWCCVMLCIA-MRXNPFEDSA-N
Compound name
1-[(2R)-4-benzoyl-2-methylpiperazin-1-yl]-2-(7-ethyl-1H-indol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.1896 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.19688 198.7
[M+Na]+ 426.17882 203.9
[M-H]- 402.18232 203.7
[M+NH4]+ 421.22342 206.6
[M+K]+ 442.15276 197.5
[M+H-H2O]+ 386.18686 187.8
[M+HCOO]- 448.18780 211.0
[M+CH3COO]- 462.20345 205.9
[M+Na-2H]- 424.16427 195.4
[M]+ 403.18905 196.5
[M]- 403.19015 196.5
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.