PubChemLite - N-(5,6-dimethoxy-pyrimidin-4-yl)-4-(5-methyl-2-oxo-1,2-dihydro-indol-3-ylideneamino)-benzenesulfonamide (C21H19N5O5S)

Structural Information

Molecular Formula

SMILES

CC1=CC2=C(C=C1)NC(=O)C2=NC3=CC=C(C=C3)S(=O)(=O)NC4=C(C(=NC=N4)OC)OC

InChI

InChI=1S/C21H19N5O5S/c1-12-4-9-16-15(10-12)17(20(27)25-16)24-13-5-7-14(8-6-13)32(28,29)26-19-18(30-2)21(31-3)23-11-22-19/h4-11H,1-3H3,(H,22,23,26)(H,24,25,27)

InChIKey

SRGNYENLDWBJKR-UHFFFAOYSA-N

Compound name

N-(5,6-dimethoxypyrimidin-4-yl)-4-[(5-methyl-2-oxo-1H-indol-3-ylidene)amino]benzenesulfonamide

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]+	454.11798	206.2
[M+Na]+	476.09992	215.1
[M-H]-	452.10342	214.0
[M+NH4]+	471.14452	213.4
[M+K]+	492.07386	209.2
[M+H-H2O]+	436.10796	196.4
[M+HCOO]-	498.10890	221.5
[M+CH3COO]-	512.12455	233.7
[M+Na-2H]-	474.08537	209.3
[M]+	453.11015	211.5
[M]-	453.11125	211.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

454.11798

206.2

[M+Na]+

476.09992

215.1

[M-H]-

452.10342

214.0

[M+NH4]+

471.14452

213.4

[M+K]+

492.07386

209.2

[M+H-H2O]+

436.10796

196.4

[M+HCOO]-

498.10890

221.5

[M+CH3COO]-

512.12455

233.7

[M+Na-2H]-

474.08537

209.3

[M]+

453.11015

211.5

[M]-

453.11125

211.5

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

N-(5,6-dimethoxy-pyrimidin-4-yl)-4-(5-methyl-2-oxo-1,2-dihydro-indol-3-ylideneamino)-benzenesulfonamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe