CID 506196

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

Structural Information

Molecular Formula
C21H19N3O3
SMILES
C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C21H19N3O3/c25-19(17-14-22-18-9-5-4-8-16(17)18)21(27)24-12-10-23(11-13-24)20(26)15-6-2-1-3-7-15/h1-9,14,22H,10-13H2
InChIKey
GCCPYLCLTHXPRB-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

14
Patents

361.14264 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.14992 184.6
[M+Na]+ 384.13186 189.4
[M-H]- 360.13536 189.5
[M+NH4]+ 379.17646 193.8
[M+K]+ 400.10580 183.6
[M+H-H2O]+ 344.13990 173.8
[M+HCOO]- 406.14084 198.1
[M+CH3COO]- 420.15649 192.6
[M+Na-2H]- 382.11731 184.4
[M]+ 361.14209 180.7
[M]- 361.14319 180.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe