CID 5746241

1-propanesulfonanilide, 3'-methoxy-4'-(3-nitro-9-acridinylamino)-, hydrochloride

Structural Information

Molecular Formula
C23H22N4O5S
SMILES
CCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)[N+](=O)[O-])OC
InChI
InChI=1S/C23H22N4O5S/c1-3-12-33(30,31)26-15-8-11-20(22(13-15)32-2)25-23-17-6-4-5-7-19(17)24-21-14-16(27(28)29)9-10-18(21)23/h4-11,13-14,26H,3,12H2,1-2H3,(H,24,25)
InChIKey
YXUVLXHTGWVBND-UHFFFAOYSA-N
Compound name
N-[3-methoxy-4-[(3-nitroacridin-9-yl)amino]phenyl]propane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

466.1311 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.13838 202.7
[M+Na]+ 489.12032 217.3
[M+NH4]+ 484.16492 208.9
[M+K]+ 505.09426 210.6
[M-H]- 465.12382 208.9
[M+Na-2H]- 487.10577 210.8
[M]+ 466.13055 206.9
[M]- 466.13165 206.9
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.