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]+ 461.12778 207.3
[M+Na]+ 483.10972 217.6
[M-H]- 459.11322 218.2
[M+NH4]+ 478.15432 215.4
[M+K]+ 499.08366 212.4
[M+H-H2O]+ 443.11776 197.6
[M+HCOO]- 505.11870 224.3
[M+CH3COO]- 519.13435 216.9
[M+Na-2H]- 481.09517 214.5
[M]+ 460.11995 215.0
[M]- 460.12105 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.