PubChemLite - Methanesulfonamide, n-[2-[4-[[4-[3-[(1-methylethyl)amino]-2-pyridinyl]-1-piperazinyl]carbonyl]-1h-pyrrol-2-yl]phenyl]- (C24H30N6O3S)

Structural Information

Molecular Formula

SMILES

CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CNC(=C3)C4=CC=CC=C4NS(=O)(=O)C

InChI

InChI=1S/C24H30N6O3S/c1-17(2)27-21-9-6-10-25-23(21)29-11-13-30(14-12-29)24(31)18-15-22(26-16-18)19-7-4-5-8-20(19)28-34(3,32)33/h4-10,15-17,26-28H,11-14H2,1-3H3

InChIKey

YFNVWUDYGHQKBM-UHFFFAOYSA-N

Compound name

N-[2-[4-[4-[3-(propan-2-ylamino)pyridin-2-yl]piperazine-1-carbonyl]-1H-pyrrol-2-yl]phenyl]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	212.4
[M+Na]+	505.19924	215.7
[M-H]-	481.20274	218.5
[M+NH4]+	500.24384	214.8
[M+K]+	521.17318	209.0
[M+H-H2O]+	465.20728	201.7
[M+HCOO]-	527.20822	220.7
[M+CH3COO]-	541.22387	237.3
[M+Na-2H]-	503.18469	210.9
[M]+	482.20947	209.6
[M]-	482.21057	209.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

483.21730

212.4

[M+Na]+

505.19924

215.7

[M-H]-

481.20274

218.5

[M+NH4]+

500.24384

214.8

[M+K]+

521.17318

209.0

[M+H-H2O]+

465.20728

201.7

[M+HCOO]-

527.20822

220.7

[M+CH3COO]-

541.22387

237.3

[M+Na-2H]-

503.18469

210.9

[M]+

482.20947

209.6

[M]-

482.21057

209.6

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

Methanesulfonamide, n-[2-[4-[[4-[3-[(1-methylethyl)amino]-2-pyridinyl]-1-piperazinyl]carbonyl]-1h-pyrrol-2-yl]phenyl]-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe