PubChemLite - 1h-indole-7-carboximidamide, 3-[1,2-dioxo-2-[4-(2-pyridinylcarbonyl)-1-piperazinyl]ethyl]-4-fluoro-n'-hydroxy- (C21H19FN6O4)

Structural Information

Molecular Formula

SMILES

C1CN(CCN1C(=O)C2=CC=CC=N2)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)/C(=N/O)/N

InChI

InChI=1S/C21H19FN6O4/c22-14-5-4-12(19(23)26-32)17-16(14)13(11-25-17)18(29)21(31)28-9-7-27(8-10-28)20(30)15-3-1-2-6-24-15/h1-6,11,25,32H,7-10H2,(H2,23,26)

InChIKey

LQWJOKTVKVJYMP-UHFFFAOYSA-N

Compound name

4-fluoro-N'-hydroxy-3-[2-oxo-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]acetyl]-1H-indole-7-carboximidamide

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]+	439.15245	198.3
[M+Na]+	461.13439	202.8
[M-H]-	437.13789	201.2
[M+NH4]+	456.17899	202.4
[M+K]+	477.10833	197.3
[M+H-H2O]+	421.14243	186.5
[M+HCOO]-	483.14337	210.3
[M+CH3COO]-	497.15902	230.8
[M+Na-2H]-	459.11984	196.7
[M]+	438.14462	193.0
[M]-	438.14572	193.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

439.15245

198.3

[M+Na]+

461.13439

202.8

[M-H]-

437.13789

201.2

[M+NH4]+

456.17899

202.4

[M+K]+

477.10833

197.3

[M+H-H2O]+

421.14243

186.5

[M+HCOO]-

483.14337

210.3

[M+CH3COO]-

497.15902

230.8

[M+Na-2H]-

459.11984

196.7

[M]+

438.14462

193.0

[M]-

438.14572

193.0

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

1h-indole-7-carboximidamide, 3-[1,2-dioxo-2-[4-(2-pyridinylcarbonyl)-1-piperazinyl]ethyl]-4-fluoro-n'-hydroxy-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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