CID 5361903

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

Structural Information

Molecular Formula
C24H24N4O5S
SMILES
CCCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)[N+](=O)[O-])OC
InChI
InChI=1S/C24H24N4O5S/c1-3-4-13-34(31,32)27-16-9-12-21(23(14-16)33-2)26-24-18-7-5-6-8-20(18)25-22-15-17(28(29)30)10-11-19(22)24/h5-12,14-15,27H,3-4,13H2,1-2H3,(H,25,26)
InChIKey
JWTSTBXPBZXXDX-UHFFFAOYSA-N
Compound name
N-[3-methoxy-4-[(3-nitroacridin-9-yl)amino]phenyl]butane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

480.14673 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.15401 208.5
[M+Na]+ 503.13595 213.4
[M-H]- 479.13945 215.0
[M+NH4]+ 498.18055 214.9
[M+K]+ 519.10989 203.6
[M+H-H2O]+ 463.14399 201.9
[M+HCOO]- 525.14493 225.2
[M+CH3COO]- 539.16058 235.6
[M+Na-2H]- 501.12140 218.8
[M]+ 480.14618 212.8
[M]- 480.14728 212.8
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.