PubChemLite - Brn 5322123 (C26H26N4O5S)

Structural Information

Molecular Formula

SMILES

COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=C(C3=NC4=CC=CC=C42)C(=O)N5CCOCC5

InChI

InChI=1S/C26H26N4O5S/c1-34-23-16-17(29-36(2,32)33)10-11-22(23)28-24-18-6-3-4-9-21(18)27-25-19(24)7-5-8-20(25)26(31)30-12-14-35-15-13-30/h3-11,16,29H,12-15H2,1-2H3,(H,27,28)

InChIKey

JCHHHQURIMYIGD-UHFFFAOYSA-N

Compound name

N-[3-methoxy-4-[[4-(morpholine-4-carbonyl)acridin-9-yl]amino]phenyl]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]+	507.16966	216.4
[M+Na]+	529.15160	221.9
[M-H]-	505.15510	224.7
[M+NH4]+	524.19620	219.6
[M+K]+	545.12554	217.6
[M+H-H2O]+	489.15964	204.7
[M+HCOO]-	551.16058	226.6
[M+CH3COO]-	565.17623	222.7
[M+Na-2H]-	527.13705	222.7
[M]+	506.16183	219.4
[M]-	506.16293	219.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

507.16966

216.4

[M+Na]+

529.15160

221.9

[M-H]-

505.15510

224.7

[M+NH4]+

524.19620

219.6

[M+K]+

545.12554

217.6

[M+H-H2O]+

489.15964

204.7

[M+HCOO]-

551.16058

226.6

[M+CH3COO]-

565.17623

222.7

[M+Na-2H]-

527.13705

222.7

[M]+

506.16183

219.4

[M]-

506.16293

219.4

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

Brn 5322123

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe