CID 51410

1-hexanesulfonanilide, 4'-(3-acetamido-9-acridinylamino)-3'-methoxy-, hydrochloride, dihydrate

Structural Information

Molecular Formula
C28H32N4O4S
SMILES
CCCCCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=C(C=CC3=NC4=CC=CC=C42)NC(=O)C)OC
InChI
InChI=1S/C28H32N4O4S/c1-4-5-6-9-16-37(34,35)32-21-13-15-26(27(18-21)36-3)31-28-22-10-7-8-11-24(22)30-25-14-12-20(17-23(25)28)29-19(2)33/h7-8,10-15,17-18,32H,4-6,9,16H2,1-3H3,(H,29,33)(H,30,31)
InChIKey
ILNBLENXTKFJOE-UHFFFAOYSA-N
Compound name
N-[9-[4-(hexylsulfonylamino)-2-methoxyanilino]acridin-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.2144 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.22168 224.8
[M+Na]+ 543.20362 237.1
[M+NH4]+ 538.24822 230.0
[M+K]+ 559.17756 227.2
[M-H]- 519.20712 229.7
[M+Na-2H]- 541.18907 231.6
[M]+ 520.21385 228.4
[M]- 520.21495 228.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.