PubChemLite - 1-[(5-methanesulfonamidoindol-2-yl)carbonyl]-4-[n-(1-methylethyl)-n-[3-(ethylamino)-2-pyridinyl]amino]piperidine (C25H34N6O3S)

Structural Information

Molecular Formula

SMILES

CCNC1=C(N=CC=C1)N(C2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C)C(C)C

InChI

InChI=1S/C25H34N6O3S/c1-5-26-22-7-6-12-27-24(22)31(17(2)3)20-10-13-30(14-11-20)25(32)23-16-18-15-19(29-35(4,33)34)8-9-21(18)28-23/h6-9,12,15-17,20,26,28-29H,5,10-11,13-14H2,1-4H3

InChIKey

YOVNAFJLQDNTNC-UHFFFAOYSA-N

Compound name

N-[2-[4-[[3-(ethylamino)pyridin-2-yl]-propan-2-ylamino]piperidine-1-carbonyl]-1H-indol-5-yl]methanesulfonamide

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]+	499.24858	215.9
[M+Na]+	521.23052	218.6
[M-H]-	497.23402	222.0
[M+NH4]+	516.27512	220.5
[M+K]+	537.20446	213.6
[M+H-H2O]+	481.23856	205.9
[M+HCOO]-	543.23950	226.2
[M+CH3COO]-	557.25515	247.0
[M+Na-2H]-	519.21597	216.2
[M]+	498.24075	216.3
[M]-	498.24185	216.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

499.24858

215.9

[M+Na]+

521.23052

218.6

[M-H]-

497.23402

222.0

[M+NH4]+

516.27512

220.5

[M+K]+

537.20446

213.6

[M+H-H2O]+

481.23856

205.9

[M+HCOO]-

543.23950

226.2

[M+CH3COO]-

557.25515

247.0

[M+Na-2H]-

519.21597

216.2

[M]+

498.24075

216.3

[M]-

498.24185

216.3

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

1-[(5-methanesulfonamidoindol-2-yl)carbonyl]-4-[n-(1-methylethyl)-n-[3-(ethylamino)-2-pyridinyl]amino]piperidine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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