PubChemLite - 1-[(5-methanesulfonamidoindol-2-yl)carbonyl]-4-[n-methyl-n-[6-chloro-3-[(1-methylethyl)amino]-2-pyridinyl]amino]piperidine (C24H31ClN6O3S)

Structural Information

Molecular Formula

SMILES

CC(C)NC1=C(N=C(C=C1)Cl)N(C)C2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C

InChI

InChI=1S/C24H31ClN6O3S/c1-15(2)26-20-7-8-22(25)28-23(20)30(3)18-9-11-31(12-10-18)24(32)21-14-16-13-17(29-35(4,33)34)5-6-19(16)27-21/h5-8,13-15,18,26-27,29H,9-12H2,1-4H3

InChIKey

CKPSYBQZPWXRMN-UHFFFAOYSA-N

Compound name

N-[2-[4-[[6-chloro-3-(propan-2-ylamino)-2-pyridinyl]-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]+	519.19398	219.2
[M+Na]+	541.17592	223.8
[M-H]-	517.17942	225.9
[M+NH4]+	536.22052	224.3
[M+K]+	557.14986	218.0
[M+H-H2O]+	501.18396	210.2
[M+HCOO]-	563.18490	225.4
[M+CH3COO]-	577.20055	248.8
[M+Na-2H]-	539.16137	218.8
[M]+	518.18615	222.2
[M]-	518.18725	222.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

519.19398

219.2

[M+Na]+

541.17592

223.8

[M-H]-

517.17942

225.9

[M+NH4]+

536.22052

224.3

[M+K]+

557.14986

218.0

[M+H-H2O]+

501.18396

210.2

[M+HCOO]-

563.18490

225.4

[M+CH3COO]-

577.20055

248.8

[M+Na-2H]-

539.16137

218.8

[M]+

518.18615

222.2

[M]-

518.18725

222.2

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-[6-chloro-3-[(1-methylethyl)amino]-2-pyridinyl]amino]piperidine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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