PubChemLite - Brn 0504670 (C24H25N3O6S)

Structural Information

Molecular Formula

SMILES

COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=C(C3=NC4=CC=CC=C42)OCC(CO)O

InChI

InChI=1S/C24H25N3O6S/c1-32-22-12-15(27-34(2,30)31)10-11-20(22)26-23-17-6-3-4-8-19(17)25-24-18(23)7-5-9-21(24)33-14-16(29)13-28/h3-12,16,27-29H,13-14H2,1-2H3,(H,25,26)

InChIKey

MGFDGIWLLUPLPE-UHFFFAOYSA-N

Compound name

N-[4-[[4-(2,3-dihydroxypropoxy)acridin-9-yl]amino]-3-methoxyphenyl]methanesulfonamide

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]+	484.15368	208.7
[M+Na]+	506.13562	214.7
[M-H]-	482.13912	213.0
[M+NH4]+	501.18022	214.9
[M+K]+	522.10956	210.0
[M+H-H2O]+	466.14366	199.1
[M+HCOO]-	528.14460	221.6
[M+CH3COO]-	542.16025	238.1
[M+Na-2H]-	504.12107	215.6
[M]+	483.14585	215.6
[M]-	483.14695	215.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

484.15368

208.7

[M+Na]+

506.13562

214.7

[M-H]-

482.13912

213.0

[M+NH4]+

501.18022

214.9

[M+K]+

522.10956

210.0

[M+H-H2O]+

466.14366

199.1

[M+HCOO]-

528.14460

221.6

[M+CH3COO]-

542.16025

238.1

[M+Na-2H]-

504.12107

215.6

[M]+

483.14585

215.6

[M]-

483.14695

215.6

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

Brn 0504670

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe