CID 149558

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

Structural Information

Molecular Formula
C23H22N4O4S
SMILES
CC(=O)NC1=CC2=NC3=CC=CC=C3C(=C2C=C1)NC4=C(C=C(C=C4)NS(=O)(=O)C)OC
InChI
InChI=1S/C23H22N4O4S/c1-14(28)24-15-8-10-18-21(12-15)25-19-7-5-4-6-17(19)23(18)26-20-11-9-16(13-22(20)31-2)27-32(3,29)30/h4-13,27H,1-3H3,(H,24,28)(H,25,26)
InChIKey
XGXRFAGNUIUJEZ-UHFFFAOYSA-N
Compound name
N-[9-[4-(methanesulfonamido)-2-methoxyanilino]acridin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
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 210.5
[M+NH4]+ 468.16999 212.2
[M+K]+ 489.09933 205.6
[M+H-H2O]+ 433.13343 193.4
[M+HCOO]- 495.13437 220.3
[M+CH3COO]- 509.15002 238.8
[M+Na-2H]- 471.11084 211.3
[M]+ 450.13562 209.2
[M]- 450.13672 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

No patent data available for this compound.