PubChemLite - 1-[(5-methanesulfonamidoindol-2-yl)carbonyl]-4-[n-methyl-n-[3-(cyclopropylamino)-2-pyridinyl]amino]piperidine (C24H30N6O3S)

Structural Information

Molecular Formula

SMILES

CN(C1CCN(CC1)C(=O)C2=CC3=C(N2)C=CC(=C3)NS(=O)(=O)C)C4=C(C=CC=N4)NC5CC5

InChI

InChI=1S/C24H30N6O3S/c1-29(23-21(4-3-11-25-23)26-17-5-6-17)19-9-12-30(13-10-19)24(31)22-15-16-14-18(28-34(2,32)33)7-8-20(16)27-22/h3-4,7-8,11,14-15,17,19,26-28H,5-6,9-10,12-13H2,1-2H3

InChIKey

HWFRGECNFTWHDK-UHFFFAOYSA-N

Compound name

N-[2-[4-[[3-(cyclopropylamino)pyridin-2-yl]-methylamino]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]+	483.21730	205.9
[M+Na]+	505.19924	211.3
[M-H]-	481.20274	215.0
[M+NH4]+	500.24384	206.9
[M+K]+	521.17318	204.2
[M+H-H2O]+	465.20728	197.5
[M+HCOO]-	527.20822	218.6
[M+CH3COO]-	541.22387	212.1
[M+Na-2H]-	503.18469	207.9
[M]+	482.20947	207.7
[M]-	482.21057	207.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

483.21730

205.9

[M+Na]+

505.19924

211.3

[M-H]-

481.20274

215.0

[M+NH4]+

500.24384

206.9

[M+K]+

521.17318

204.2

[M+H-H2O]+

465.20728

197.5

[M+HCOO]-

527.20822

218.6

[M+CH3COO]-

541.22387

212.1

[M+Na-2H]-

503.18469

207.9

[M]+

482.20947

207.7

[M]-

482.21057

207.7

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-methyl-n-[3-(cyclopropylamino)-2-pyridinyl]amino]piperidine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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