CID 149571

Methanesulfonanilide, 3'-methoxy-4'-(4-methylcarbamoyl-9-acridinylamino)-, hydrochloride

Structural Information

Molecular Formula
C23H22N4O4S
SMILES
CNC(=O)C1=CC=CC2=C(C3=CC=CC=C3N=C21)NC4=C(C=C(C=C4)NS(=O)(=O)C)OC
InChI
InChI=1S/C23H22N4O4S/c1-24-23(28)17-9-6-8-16-21(15-7-4-5-10-18(15)25-22(16)17)26-19-12-11-14(13-20(19)31-2)27-32(3,29)30/h4-13,27H,1-3H3,(H,24,28)(H,25,26)
InChIKey
NTXUJEYVGWIFBQ-UHFFFAOYSA-N
Compound name
9-[4-(methanesulfonamido)-2-methoxyanilino]-N-methylacridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1
Patents

450.13617 Da
Monoisotopic Mass

3.3
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 210.5
[M+NH4]+ 468.169993 212.2
[M+K]+ 489.099328 205.6
[M+H-H2O]+ 433.133430 193.4
[M+HCOO]- 495.134371 220.3
[M+CH3COO]- 509.150021 238.8
[M+Na-2H]- 471.110836 211.3
[M]+ 450.13562142 209.2
[M]- 450.13671858 209.2
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

patents stripe