PubChemLite - 147920-19-2 (C23H30N6O3S)

Structural Information

Molecular Formula

SMILES

CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)N(C)S(=O)(=O)C

InChI

InChI=1S/C23H30N6O3S/c1-16(2)25-20-6-5-9-24-22(20)28-10-12-29(13-11-28)23(30)21-15-17-14-18(7-8-19(17)26-21)27(3)33(4,31)32/h5-9,14-16,25-26H,10-13H2,1-4H3

InChIKey

NKQOPJRPIQXYNT-UHFFFAOYSA-N

Compound name

N-methyl-N-[2-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-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]+	471.21730	210.0
[M+Na]+	493.19924	214.8
[M-H]-	469.20274	215.5
[M+NH4]+	488.24384	214.9
[M+K]+	509.17318	209.6
[M+H-H2O]+	453.20728	200.2
[M+HCOO]-	515.20822	218.8
[M+CH3COO]-	529.22387	238.7
[M+Na-2H]-	491.18469	210.0
[M]+	470.20947	211.0
[M]-	470.21057	211.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

471.21730

210.0

[M+Na]+

493.19924

214.8

[M-H]-

469.20274

215.5

[M+NH4]+

488.24384

214.9

[M+K]+

509.17318

209.6

[M+H-H2O]+

453.20728

200.2

[M+HCOO]-

515.20822

218.8

[M+CH3COO]-

529.22387

238.7

[M+Na-2H]-

491.18469

210.0

[M]+

470.20947

211.0

[M]-

470.21057

211.0

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

147920-19-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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