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]+ 451.143446 203.3
[M+Na]+ 473.125388 211.0
[M-H]- 449.128894 210.0
[M+NH4]+ 468.169993 211.9
[M+K]+ 489.099328 205.2
[M+H-H2O]+ 433.133430 193.5
[M+HCOO]- 495.134371 219.7
[M+CH3COO]- 509.150021 239.0
[M+Na-2H]- 471.110836 210.4
[M]+ 450.13562142 208.4
[M]- 450.13671858 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.