PubChemLite - 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]+	503.24352	221.4
[M+Na]+	525.22546	228.8
[M-H]-	501.22896	224.5
[M+NH4]+	520.27006	225.5
[M+K]+	541.19940	221.2
[M+H-H2O]+	485.23350	212.6
[M+HCOO]-	547.23444	230.1
[M+CH3COO]-	561.25009	237.0
[M+Na-2H]-	523.21091	218.3
[M]+	502.23569	226.3
[M]-	502.23679	226.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

503.24352

221.4

[M+Na]+

525.22546

228.8

[M-H]-

501.22896

224.5

[M+NH4]+

520.27006

225.5

[M+K]+

541.19940

221.2

[M+H-H2O]+

485.23350

212.6

[M+HCOO]-

547.23444

230.1

[M+CH3COO]-

561.25009

237.0

[M+Na-2H]-

523.21091

218.3

[M]+

502.23569

226.3

[M]-

502.23679

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