CID 51414

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

Structural Information

Molecular Formula
C25H27N3O4S
SMILES
CCCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=C(C3=NC4=CC=CC=C42)OC)OC
InChI
InChI=1S/C25H27N3O4S/c1-4-5-15-33(29,30)28-17-13-14-21(23(16-17)32-3)27-24-18-9-6-7-11-20(18)26-25-19(24)10-8-12-22(25)31-2/h6-14,16,28H,4-5,15H2,1-3H3,(H,26,27)
InChIKey
GFCNNYCFAOYFRT-UHFFFAOYSA-N
Compound name
N-[3-methoxy-4-[(4-methoxyacridin-9-yl)amino]phenyl]butane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

465.17224 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.17952 211.0
[M+Na]+ 488.16146 225.6
[M+NH4]+ 483.20606 217.6
[M+K]+ 504.13540 215.1
[M-H]- 464.16496 216.3
[M+Na-2H]- 486.14691 219.0
[M]+ 465.17169 215.2
[M]- 465.17279 215.2
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.