PubChemLite - 3-[(4-benzoylpiperazin-1-yl)(oxo)acetyl]-4-fluoro-n-[2-(1h-indol-3-yl)ethyl]-1h-indole-7-carboxamide- (C32H28FN5O4)

Structural Information

Molecular Formula

SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)C(=O)NCCC5=CNC6=CC=CC=C65

InChI

InChI=1S/C32H28FN5O4/c33-25-11-10-23(30(40)34-13-12-21-18-35-26-9-5-4-8-22(21)26)28-27(25)24(19-36-28)29(39)32(42)38-16-14-37(15-17-38)31(41)20-6-2-1-3-7-20/h1-11,18-19,35-36H,12-17H2,(H,34,40)

InChIKey

QWKDCRCURJBJBU-UHFFFAOYSA-N

Compound name

3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-N-[2-(1H-indol-3-yl)ethyl]-1H-indole-7-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	566.21978	228.2
[M+Na]+	588.20172	231.3
[M-H]-	564.20522	234.5
[M+NH4]+	583.24632	229.1
[M+K]+	604.17566	223.5
[M+H-H2O]+	548.20976	215.8
[M+HCOO]-	610.21070	237.2
[M+CH3COO]-	624.22635	231.9
[M+Na-2H]-	586.18717	223.3
[M]+	565.21195	225.1
[M]-	565.21305	225.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

566.21978

228.2

[M+Na]+

588.20172

231.3

[M-H]-

564.20522

234.5

[M+NH4]+

583.24632

229.1

[M+K]+

604.17566

223.5

[M+H-H2O]+

548.20976

215.8

[M+HCOO]-

610.21070

237.2

[M+CH3COO]-

624.22635

231.9

[M+Na-2H]-

586.18717

223.3

[M]+

565.21195

225.1

[M]-

565.21305

225.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

3-[(4-benzoylpiperazin-1-yl)(oxo)acetyl]-4-fluoro-n-[2-(1h-indol-3-yl)ethyl]-1h-indole-7-carboxamide-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe