PubChemLite - N-(5,6-dimethoxy-pyrimidin-4-yl)-4-(5-methyl-1-morpholin-4-ylmethyl-2-oxo-1,2-dihydro-indol-3-ylideneamino)-benzenesulfonamide (C26H28N6O6S)

Structural Information

Molecular Formula

SMILES

CC1=CC2=C(C=C1)N(C(=O)C2=NC3=CC=C(C=C3)S(=O)(=O)NC4=C(C(=NC=N4)OC)OC)CN5CCOCC5

InChI

InChI=1S/C26H28N6O6S/c1-17-4-9-21-20(14-17)22(26(33)32(21)16-31-10-12-38-13-11-31)29-18-5-7-19(8-6-18)39(34,35)30-24-23(36-2)25(37-3)28-15-27-24/h4-9,14-15H,10-13,16H2,1-3H3,(H,27,28,30)

InChIKey

NELXXDVXTVUJIH-UHFFFAOYSA-N

Compound name

N-(5,6-dimethoxypyrimidin-4-yl)-4-[[5-methyl-1-(morpholin-4-ylmethyl)-2-oxoindol-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]+	553.18638	230.6
[M+Na]+	575.16832	236.5
[M-H]-	551.17182	240.7
[M+NH4]+	570.21292	230.9
[M+K]+	591.14226	232.3
[M+H-H2O]+	535.17636	218.7
[M+HCOO]-	597.17730	240.7
[M+CH3COO]-	611.19295	254.3
[M+Na-2H]-	573.15377	231.3
[M]+	552.17855	235.0
[M]-	552.17965	235.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

553.18638

230.6

[M+Na]+

575.16832

236.5

[M-H]-

551.17182

240.7

[M+NH4]+

570.21292

230.9

[M+K]+

591.14226

232.3

[M+H-H2O]+

535.17636

218.7

[M+HCOO]-

597.17730

240.7

[M+CH3COO]-

611.19295

254.3

[M+Na-2H]-

573.15377

231.3

[M]+

552.17855

235.0

[M]-

552.17965

235.0

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-1-morpholin-4-ylmethyl-2-oxo-1,2-dihydro-indol-3-ylideneamino)-benzenesulfonamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe