CID 6481398

Chembl4582105

Structural Information

Molecular Formula
C23H23N3O4
SMILES
CC1CN(CCN1C(=O)C(=O)C2=CC3=C(N2)C=C(C=C3)OC)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H23N3O4/c1-15-14-25(22(28)16-6-4-3-5-7-16)10-11-26(15)23(29)21(27)20-12-17-8-9-18(30-2)13-19(17)24-20/h3-9,12-13,15,24H,10-11,14H2,1-2H3
InChIKey
KDBRQRUZNGTCIF-UHFFFAOYSA-N
Compound name
1-(4-benzoyl-2-methylpiperazin-1-yl)-2-(6-methoxy-1H-indol-2-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

405.16885 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.17613 196.7
[M+Na]+ 428.15807 202.1
[M-H]- 404.16157 202.0
[M+NH4]+ 423.20267 204.5
[M+K]+ 444.13201 196.7
[M+H-H2O]+ 388.16611 185.9
[M+HCOO]- 450.16705 209.5
[M+CH3COO]- 464.18270 221.1
[M+Na-2H]- 426.14352 194.2
[M]+ 405.16830 195.6
[M]- 405.16940 195.6
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

No patent data available for this compound.