PubChemLite - N-(4,6-dimethylpyrimidin-2-yl)-4-[(2-methoxyacridin-9-yl)amino]benzenesulfonamide (C26H23N5O3S)

Structural Information

Molecular Formula

SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC5=CC=CC=C53)OC)C

InChI

InChI=1S/C26H23N5O3S/c1-16-14-17(2)28-26(27-16)31-35(32,33)20-11-8-18(9-12-20)29-25-21-6-4-5-7-23(21)30-24-13-10-19(34-3)15-22(24)25/h4-15H,1-3H3,(H,29,30)(H,27,28,31)

InChIKey

DBNJSTRODXBVQN-UHFFFAOYSA-N

Compound name

N-(4,6-dimethylpyrimidin-2-yl)-4-[(2-methoxyacridin-9-yl)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]+	486.15944	217.1
[M+Na]+	508.14138	226.9
[M-H]-	484.14488	225.1
[M+NH4]+	503.18598	222.0
[M+K]+	524.11532	218.8
[M+H-H2O]+	468.14942	204.9
[M+HCOO]-	530.15036	231.2
[M+CH3COO]-	544.16601	224.6
[M+Na-2H]-	506.12683	225.2
[M]+	485.15161	222.8
[M]-	485.15271	222.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

486.15944

217.1

[M+Na]+

508.14138

226.9

[M-H]-

484.14488

225.1

[M+NH4]+

503.18598

222.0

[M+K]+

524.11532

218.8

[M+H-H2O]+

468.14942

204.9

[M+HCOO]-

530.15036

231.2

[M+CH3COO]-

544.16601

224.6

[M+Na-2H]-

506.12683

225.2

[M]+

485.15161

222.8

[M]-

485.15271

222.8

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

N-(4,6-dimethylpyrimidin-2-yl)-4-[(2-methoxyacridin-9-yl)amino]benzenesulfonamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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