PubChemLite - Schembl6443777 (C24H19FN6O5)

Structural Information

Molecular Formula

SMILES

C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)C5=NOC(=N5)C(=O)N

InChI

InChI=1S/C24H19FN6O5/c25-16-7-6-14(21-28-22(20(26)33)36-29-21)18-17(16)15(12-27-18)19(32)24(35)31-10-8-30(9-11-31)23(34)13-4-2-1-3-5-13/h1-7,12,27H,8-11H2,(H2,26,33)

InChIKey

DWPTVNSJNDRQCG-UHFFFAOYSA-N

Compound name

3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indol-7-yl]-1,2,4-oxadiazole-5-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]+	491.14738	209.1
[M+Na]+	513.12932	214.5
[M-H]-	489.13282	215.7
[M+NH4]+	508.17392	210.1
[M+K]+	529.10326	210.0
[M+H-H2O]+	473.13736	197.3
[M+HCOO]-	535.13830	218.9
[M+CH3COO]-	549.15395	214.9
[M+Na-2H]-	511.11477	203.9
[M]+	490.13955	206.8
[M]-	490.14065	206.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

491.14738

209.1

[M+Na]+

513.12932

214.5

[M-H]-

489.13282

215.7

[M+NH4]+

508.17392

210.1

[M+K]+

529.10326

210.0

[M+H-H2O]+

473.13736

197.3

[M+HCOO]-

535.13830

218.9

[M+CH3COO]-

549.15395

214.9

[M+Na-2H]-

511.11477

203.9

[M]+

490.13955

206.8

[M]-

490.14065

206.8

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

Schembl6443777

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe