CID 51408

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

Structural Information

Molecular Formula
C26H28N4O4S
SMILES
CCCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)NC(=O)C)OC
InChI
InChI=1S/C26H28N4O4S/c1-4-5-14-35(32,33)30-19-11-13-23(25(16-19)34-3)29-26-20-8-6-7-9-22(20)28-24-15-18(27-17(2)31)10-12-21(24)26/h6-13,15-16,30H,4-5,14H2,1-3H3,(H,27,31)(H,28,29)
InChIKey
YCHGIIYNGDBDHM-UHFFFAOYSA-N
Compound name
N-[9-[4-(butylsulfonylamino)-2-methoxyanilino]acridin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

492.18314 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.19042 215.7
[M+Na]+ 515.17236 221.9
[M-H]- 491.17586 222.2
[M+NH4]+ 510.21696 222.8
[M+K]+ 531.14630 216.0
[M+H-H2O]+ 475.18040 205.2
[M+HCOO]- 537.18134 231.6
[M+CH3COO]- 551.19699 247.4
[M+Na-2H]- 513.15781 222.4
[M]+ 492.18259 222.4
[M]- 492.18369 222.4
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.