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]+ 481.154006 208.5
[M+Na]+ 503.135948 213.4
[M-H]- 479.139454 215.0
[M+NH4]+ 498.180553 214.9
[M+K]+ 519.109888 203.6
[M+H-H2O]+ 463.143990 201.9
[M+HCOO]- 525.144931 225.2
[M+CH3COO]- 539.160581 235.6
[M+Na-2H]- 501.121396 218.8
[M]+ 480.14618142 212.8
[M]- 480.14727858 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.