PubChemLite - 4-fluoro-n-methyl-3-[2-oxo-2-[4-(phenylsulfamoyl)piperazin-1-yl]acetyl]-1h-indole-7-carboxamide (C22H22FN5O5S)

Structural Information

Molecular Formula

SMILES

CNC(=O)C1=C2C(=C(C=C1)F)C(=CN2)C(=O)C(=O)N3CCN(CC3)S(=O)(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H22FN5O5S/c1-24-21(30)15-7-8-17(23)18-16(13-25-19(15)18)20(29)22(31)27-9-11-28(12-10-27)34(32,33)26-14-5-3-2-4-6-14/h2-8,13,25-26H,9-12H2,1H3,(H,24,30)

InChIKey

UYULKGCDYBFLQG-UHFFFAOYSA-N

Compound name

4-fluoro-N-methyl-3-[2-oxo-2-[4-(phenylsulfamoyl)piperazin-1-yl]acetyl]-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]+	488.13985	208.1
[M+Na]+	510.12179	212.6
[M-H]-	486.12529	212.2
[M+NH4]+	505.16639	212.4
[M+K]+	526.09573	207.2
[M+H-H2O]+	470.12983	198.3
[M+HCOO]-	532.13077	216.6
[M+CH3COO]-	546.14642	236.4
[M+Na-2H]-	508.10724	208.4
[M]+	487.13202	206.8
[M]-	487.13312	206.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

488.13985

208.1

[M+Na]+

510.12179

212.6

[M-H]-

486.12529

212.2

[M+NH4]+

505.16639

212.4

[M+K]+

526.09573

207.2

[M+H-H2O]+

470.12983

198.3

[M+HCOO]-

532.13077

216.6

[M+CH3COO]-

546.14642

236.4

[M+Na-2H]-

508.10724

208.4

[M]+

487.13202

206.8

[M]-

487.13312

206.8

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

4-fluoro-n-methyl-3-[2-oxo-2-[4-(phenylsulfamoyl)piperazin-1-yl]acetyl]-1h-indole-7-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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