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 204.1
[M+Na]+ 489.12032 209.6
[M-H]- 465.12382 210.9
[M+NH4]+ 484.16492 211.2
[M+K]+ 505.09426 199.9
[M+H-H2O]+ 449.12836 197.8
[M+HCOO]- 511.12930 221.2
[M+CH3COO]- 525.14495 232.7
[M+Na-2H]- 487.10577 214.9
[M]+ 466.13055 208.1
[M]- 466.13165 208.1
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.