CID 506457

1-(1-acetylindol-3-yl)-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione

Structural Information

Molecular Formula
C23H21N3O4
SMILES
CC(=O)N1C=C(C2=CC=CC=C21)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H21N3O4/c1-16(27)26-15-19(18-9-5-6-10-20(18)26)21(28)23(30)25-13-11-24(12-14-25)22(29)17-7-3-2-4-8-17/h2-10,15H,11-14H2,1H3
InChIKey
DWFWRILKUQXPRN-UHFFFAOYSA-N
Compound name
1-(1-acetylindol-3-yl)-2-(4-benzoylpiperazin-1-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

403.1532 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.16048 194.8
[M+Na]+ 426.14242 199.8
[M-H]- 402.14592 201.2
[M+NH4]+ 421.18702 203.0
[M+K]+ 442.11636 195.2
[M+H-H2O]+ 386.15046 183.8
[M+HCOO]- 448.15140 208.4
[M+CH3COO]- 462.16705 221.7
[M+Na-2H]- 424.12787 192.5
[M]+ 403.15265 193.8
[M]- 403.15375 193.8
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

patents stripe