PubChemLite - 4-(6-chloro-2-methoxyacridin-9-ylamino)-n-(4,6-di-methyl-pyrimidin-2-yl)benzenesulfonamide (C26H22ClN5O3S)

Structural Information

Molecular Formula

SMILES

CC1=CC(=NC(=N1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC5=C3C=CC(=C5)Cl)OC)C

InChI

InChI=1S/C26H22ClN5O3S/c1-15-12-16(2)29-26(28-15)32-36(33,34)20-8-5-18(6-9-20)30-25-21-10-4-17(27)13-24(21)31-23-11-7-19(35-3)14-22(23)25/h4-14H,1-3H3,(H,30,31)(H,28,29,32)

InChIKey

PYRONDXYOXZGPF-UHFFFAOYSA-N

Compound name

4-[(6-chloro-2-methoxyacridin-9-yl)amino]-N-(4,6-dimethylpyrimidin-2-yl)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]+	520.12044	223.2
[M+Na]+	542.10238	234.2
[M-H]-	518.10588	231.3
[M+NH4]+	537.14698	227.9
[M+K]+	558.07632	225.7
[M+H-H2O]+	502.11042	211.5
[M+HCOO]-	564.11136	232.7
[M+CH3COO]-	578.12701	230.6
[M+Na-2H]-	540.08783	230.2
[M]+	519.11261	231.8
[M]-	519.11371	231.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

520.12044

223.2

[M+Na]+

542.10238

234.2

[M-H]-

518.10588

231.3

[M+NH4]+

537.14698

227.9

[M+K]+

558.07632

225.7

[M+H-H2O]+

502.11042

211.5

[M+HCOO]-

564.11136

232.7

[M+CH3COO]-

578.12701

230.6

[M+Na-2H]-

540.08783

230.2

[M]+

519.11261

231.8

[M]-

519.11371

231.8

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

4-(6-chloro-2-methoxyacridin-9-ylamino)-n-(4,6-di-methyl-pyrimidin-2-yl)benzenesulfonamide

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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