CID 506421

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

Structural Information

Molecular Formula
C23H23N3O3
SMILES
CC1=C(C2=CC=CC=C2N1C)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H23N3O3/c1-16-20(18-10-6-7-11-19(18)24(16)2)21(27)23(29)26-14-12-25(13-15-26)22(28)17-8-4-3-5-9-17/h3-11H,12-15H2,1-2H3
InChIKey
GBHZJZNGRDJJGZ-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-(1,2-dimethylindol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.17395 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.18123 194.2
[M+Na]+ 412.16317 200.3
[M-H]- 388.16667 200.8
[M+NH4]+ 407.20777 203.5
[M+K]+ 428.13711 194.9
[M+H-H2O]+ 372.17121 183.2
[M+HCOO]- 434.17215 208.3
[M+CH3COO]- 448.18780 202.5
[M+Na-2H]- 410.14862 191.8
[M]+ 389.17340 193.5
[M]- 389.17450 193.5
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.