CID 506225

Chembl492948

Structural Information

Molecular Formula
C22H21N3O4
SMILES
COC1=CC2=C(C=C1)C(=CN2)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H21N3O4/c1-29-16-7-8-17-18(14-23-19(17)13-16)20(26)22(28)25-11-9-24(10-12-25)21(27)15-5-3-2-4-6-15/h2-8,13-14,23H,9-12H2,1H3
InChIKey
WGHIBPXNZYOGFD-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-(6-methoxy-1H-indol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

391.1532 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.16048 191.9
[M+Na]+ 414.14242 196.8
[M-H]- 390.14592 196.9
[M+NH4]+ 409.18702 199.9
[M+K]+ 430.11636 191.6
[M+H-H2O]+ 374.15046 181.0
[M+HCOO]- 436.15140 205.1
[M+CH3COO]- 450.16705 199.5
[M+Na-2H]- 412.12787 190.6
[M]+ 391.15265 190.0
[M]- 391.15375 190.0
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.