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 211.0
[M-H]- 449.12889 210.0
[M+NH4]+ 468.16999 211.9
[M+K]+ 489.09933 205.2
[M+H-H2O]+ 433.13343 193.5
[M+HCOO]- 495.13437 219.7
[M+CH3COO]- 509.15002 239.0
[M+Na-2H]- 471.11084 210.4
[M]+ 450.13562 208.4
[M]- 450.13672 208.4
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.