CID 506266

1-[4-(2-aminobenzoyl)piperazin-1-yl]-2-(1h-indol-3-yl)ethane-1,2-dione

Structural Information

Molecular Formula
C21H20N4O3
SMILES
C1CN(CCN1C(=O)C2=CC=CC=C2N)C(=O)C(=O)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C21H20N4O3/c22-17-7-3-1-6-15(17)20(27)24-9-11-25(12-10-24)21(28)19(26)16-13-23-18-8-4-2-5-14(16)18/h1-8,13,23H,9-12,22H2
InChIKey
XKYCLYKYNKGGIQ-UHFFFAOYSA-N
Compound name
1-[4-(2-aminobenzoyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.15353 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.16081 188.1
[M+Na]+ 399.14275 192.9
[M-H]- 375.14625 192.9
[M+NH4]+ 394.18735 196.3
[M+K]+ 415.11669 186.9
[M+H-H2O]+ 359.15079 177.4
[M+HCOO]- 421.15173 202.0
[M+CH3COO]- 435.16738 195.6
[M+Na-2H]- 397.12820 187.2
[M]+ 376.15298 183.1
[M]- 376.15408 183.1
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.