Ns00117558 (C24H34N6O4S)

Structural Information

Molecular Formula

SMILES

CCCC1=C2C(=NN1)C(=O)NC(=N2)C3=C(C=CC(=C3)S(=O)(=O)NCCC4CCCN4C)OCCC

InChI

InChI=1S/C24H34N6O4S/c1-4-7-19-21-22(29-28-19)24(31)27-23(26-21)18-15-17(9-10-20(18)34-14-5-2)35(32,33)25-12-11-16-8-6-13-30(16)3/h9-10,15-16,25H,4-8,11-14H2,1-3H3,(H,28,29)(H,26,27,31)

InChIKey

NVYLYDOUWHBMEY-UHFFFAOYSA-N

Compound name

N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-(7-oxo-3-propyl-2,6-dihydropyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxybenzenesulfonamide

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]+	503.243516	221.4
[M+Na]+	525.225458	228.8
[M-H]-	501.228964	224.5
[M+NH4]+	520.270063	225.5
[M+K]+	541.199398	221.2
[M+H-H2O]+	485.233500	212.6
[M+HCOO]-	547.234441	230.1
[M+CH3COO]-	561.250091	237.0
[M+Na-2H]-	523.210906	218.3
[M]+	502.23569142	226.3
[M]-	502.23678858	226.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

503.243516

221.4

[M+Na]+

525.225458

228.8

[M-H]-

501.228964

224.5

[M+NH4]+

520.270063

225.5

[M+K]+

541.199398

221.2

[M+H-H2O]+

485.233500

212.6

[M+HCOO]-

547.234441

230.1

[M+CH3COO]-

561.250091

237.0

[M+Na-2H]-

523.210906

218.3

[M]+

502.23569142

226.3

[M]-

502.23678858

226.3

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

Ns00117558

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe