PubChemLite - 1-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-n-(1-isopropylpiperidin-4-yl)-1h-indole-2-carboxamide (C25H29ClN4O2)

Structural Information

Molecular Formula

SMILES

CC(C)N1CCC(CC1)NC(=O)C2=CC3=CC=CC=C3N2CC(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H29ClN4O2/c1-17(2)29-13-11-21(12-14-29)28-25(32)23-15-18-5-3-4-6-22(18)30(23)16-24(31)27-20-9-7-19(26)8-10-20/h3-10,15,17,21H,11-14,16H2,1-2H3,(H,27,31)(H,28,32)

InChIKey

BDLMBQRBNPDCSS-UHFFFAOYSA-N

Compound name

1-[2-(4-chloroanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)indole-2-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]+	453.20518	209.8
[M+Na]+	475.18712	213.9
[M-H]-	451.19062	217.0
[M+NH4]+	470.23172	218.4
[M+K]+	491.16106	207.1
[M+H-H2O]+	435.19516	199.2
[M+HCOO]-	497.19610	221.9
[M+CH3COO]-	511.21175	216.7
[M+Na-2H]-	473.17257	207.5
[M]+	452.19735	210.0
[M]-	452.19845	210.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

453.20518

209.8

[M+Na]+

475.18712

213.9

[M-H]-

451.19062

217.0

[M+NH4]+

470.23172

218.4

[M+K]+

491.16106

207.1

[M+H-H2O]+

435.19516

199.2

[M+HCOO]-

497.19610

221.9

[M+CH3COO]-

511.21175

216.7

[M+Na-2H]-

473.17257

207.5

[M]+

452.19735

210.0

[M]-

452.19845

210.0

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

1-{2-[(4-chlorophenyl)amino]-2-oxoethyl}-n-(1-isopropylpiperidin-4-yl)-1h-indole-2-carboxamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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