CID 506423

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

Structural Information

Molecular Formula
C22H20ClN3O3
SMILES
CN1C=C(C2=C1C=CC=C2Cl)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H20ClN3O3/c1-24-14-16(19-17(23)8-5-9-18(19)24)20(27)22(29)26-12-10-25(11-13-26)21(28)15-6-3-2-4-7-15/h2-9,14H,10-13H2,1H3
InChIKey
BTOAIBNBQSMUPI-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-(4-chloro-1-methylindol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.11932 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.12660 195.6
[M+Na]+ 432.10854 203.0
[M-H]- 408.11204 202.1
[M+NH4]+ 427.15314 205.0
[M+K]+ 448.08248 196.4
[M+H-H2O]+ 392.11658 184.9
[M+HCOO]- 454.11752 205.5
[M+CH3COO]- 468.13317 204.0
[M+Na-2H]- 430.09399 193.4
[M]+ 409.11877 197.0
[M]- 409.11987 197.0
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.