CID 5279419

4-(2-methoxy-acridin-9-ylamino)-n-(5-methyl-isoxazol-3-yl)-benzenesulfonamide

Structural Information

Molecular Formula
C24H20N4O4S
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC3=C4C=C(C=CC4=NC5=CC=CC=C53)OC
InChI
InChI=1S/C24H20N4O4S/c1-15-13-23(27-32-15)28-33(29,30)18-10-7-16(8-11-18)25-24-19-5-3-4-6-21(19)26-22-12-9-17(31-2)14-20(22)24/h3-14H,1-2H3,(H,25,26)(H,27,28)
InChIKey
QLUBZMSTGNICBI-UHFFFAOYSA-N
Compound name
4-[(2-methoxyacridin-9-yl)amino]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

460.1205 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.127776 207.3
[M+Na]+ 483.109718 217.6
[M-H]- 459.113224 218.2
[M+NH4]+ 478.154323 215.4
[M+K]+ 499.083658 212.4
[M+H-H2O]+ 443.117760 197.6
[M+HCOO]- 505.118701 224.3
[M+CH3COO]- 519.134351 216.9
[M+Na-2H]- 481.095166 214.5
[M]+ 460.11995142 215.0
[M]- 460.12104858 215.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.