CID 135421

4-acridinecarboxamide, 9-((4-((ethylsulfonyl)amino)-2-methoxyphenyl)amino)-, monohydrochloride

Structural Information

Molecular Formula
C23H22N4O4S
SMILES
CCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=C(C3=NC4=CC=CC=C42)C(=O)N)OC
InChI
InChI=1S/C23H22N4O4S/c1-3-32(29,30)27-14-11-12-19(20(13-14)31-2)26-21-15-7-4-5-10-18(15)25-22-16(21)8-6-9-17(22)23(24)28/h4-13,27H,3H2,1-2H3,(H2,24,28)(H,25,26)
InChIKey
ZBYMFWFDRZVBGG-UHFFFAOYSA-N
Compound name
9-[4-(ethylsulfonylamino)-2-methoxyanilino]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

450.13617 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.14345 203.3
[M+Na]+ 473.12539 216.4
[M+NH4]+ 468.16999 209.2
[M+K]+ 489.09933 207.8
[M-H]- 449.12889 208.3
[M+Na-2H]- 471.11084 210.9
[M]+ 450.13562 207.0
[M]- 450.13672 207.0
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.