PubChemLite - 1h-indole-7-carboxamide, 3-[2-(4-benzoyl-1-piperazinyl)-1,2-dioxoethyl]-4-fluoro-n-(4-morpholinyl)- (C26H26FN5O5)

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)NN5CCOCC5

InChI

InChI=1S/C26H26FN5O5/c27-20-7-6-18(24(34)29-32-12-14-37-15-13-32)22-21(20)19(16-28-22)23(33)26(36)31-10-8-30(9-11-31)25(35)17-4-2-1-3-5-17/h1-7,16,28H,8-15H2,(H,29,34)

InChIKey

ACJYONRZIFWPHL-UHFFFAOYSA-N

Compound name

3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-N-morpholin-4-yl-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]+	508.19908	215.6
[M+Na]+	530.18102	216.7
[M-H]-	506.18452	220.8
[M+NH4]+	525.22562	214.9
[M+K]+	546.15496	212.2
[M+H-H2O]+	490.18906	202.1
[M+HCOO]-	552.19000	221.3
[M+CH3COO]-	566.20565	219.1
[M+Na-2H]-	528.16647	211.1
[M]+	507.19125	208.5
[M]-	507.19235	208.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

508.19908

215.6

[M+Na]+

530.18102

216.7

[M-H]-

506.18452

220.8

[M+NH4]+

525.22562

214.9

[M+K]+

546.15496

212.2

[M+H-H2O]+

490.18906

202.1

[M+HCOO]-

552.19000

221.3

[M+CH3COO]-

566.20565

219.1

[M+Na-2H]-

528.16647

211.1

[M]+

507.19125

208.5

[M]-

507.19235

208.5

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

1h-indole-7-carboxamide, 3-[2-(4-benzoyl-1-piperazinyl)-1,2-dioxoethyl]-4-fluoro-n-(4-morpholinyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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