PubChemLite - Schembl6446764 (C26H23FN6O5)

Structural Information

Molecular Formula

SMILES

CNC(=O)CC1=NC(=NO1)C2=C3C(=C(C=C2)F)C(=CN3)C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C26H23FN6O5/c1-28-19(34)13-20-30-24(31-38-20)16-7-8-18(27)21-17(14-29-22(16)21)23(35)26(37)33-11-9-32(10-12-33)25(36)15-5-3-2-4-6-15/h2-8,14,29H,9-13H2,1H3,(H,28,34)

InChIKey

UZMGDMIXLZKXCV-UHFFFAOYSA-N

Compound name

2-[3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-1H-indol-7-yl]-1,2,4-oxadiazol-5-yl]-N-methylacetamide

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]+	519.17868	217.3
[M+Na]+	541.16062	221.7
[M-H]-	517.16412	223.9
[M+NH4]+	536.20522	217.4
[M+K]+	557.13456	217.1
[M+H-H2O]+	501.16866	205.0
[M+HCOO]-	563.16960	226.9
[M+CH3COO]-	577.18525	222.4
[M+Na-2H]-	539.14607	212.0
[M]+	518.17085	216.3
[M]-	518.17195	216.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

519.17868

217.3

[M+Na]+

541.16062

221.7

[M-H]-

517.16412

223.9

[M+NH4]+

536.20522

217.4

[M+K]+

557.13456

217.1

[M+H-H2O]+

501.16866

205.0

[M+HCOO]-

563.16960

226.9

[M+CH3COO]-

577.18525

222.4

[M+Na-2H]-

539.14607

212.0

[M]+

518.17085

216.3

[M]-

518.17195

216.3

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

Schembl6446764

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe