CID 5746243

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

Structural Information

Molecular Formula
C25H26N4O5S
SMILES
CCCCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)[N+](=O)[O-])OC
InChI
InChI=1S/C25H26N4O5S/c1-3-4-7-14-35(32,33)28-17-10-13-22(24(15-17)34-2)27-25-19-8-5-6-9-21(19)26-23-16-18(29(30)31)11-12-20(23)25/h5-6,8-13,15-16,28H,3-4,7,14H2,1-2H3,(H,26,27)
InChIKey
IMWSLXHEWYYRMA-UHFFFAOYSA-N
Compound name
N-[3-methoxy-4-[(3-nitroacridin-9-yl)amino]phenyl]pentane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

494.16238 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.16966 211.3
[M+Na]+ 517.15160 225.4
[M+NH4]+ 512.19620 217.1
[M+K]+ 533.12554 218.3
[M-H]- 493.15510 217.4
[M+Na-2H]- 515.13705 218.9
[M]+ 494.16183 215.4
[M]- 494.16293 215.4
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.