CID 51428

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

Structural Information

Molecular Formula
C27H30N4O4S
SMILES
CCCCCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C(=NC4=CC=CC=C42)C=CC=C3C(=O)N)OC
InChI
InChI=1S/C27H30N4O4S/c1-3-4-5-8-16-36(33,34)31-18-14-15-22(24(17-18)35-2)30-26-19-10-6-7-12-21(19)29-23-13-9-11-20(25(23)26)27(28)32/h6-7,9-15,17,31H,3-5,8,16H2,1-2H3,(H2,28,32)(H,29,30)
InChIKey
AAOCBJBBYRWMCJ-UHFFFAOYSA-N
Compound name
9-[4-(hexylsulfonylamino)-2-methoxyanilino]acridine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.1988 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.20608 219.8
[M+Na]+ 529.18802 225.4
[M-H]- 505.19152 225.5
[M+NH4]+ 524.23262 225.9
[M+K]+ 545.16196 219.1
[M+H-H2O]+ 489.19606 209.1
[M+HCOO]- 551.19700 234.7
[M+CH3COO]- 565.21265 250.4
[M+Na-2H]- 527.17347 225.0
[M]+ 506.19825 225.9
[M]- 506.19935 225.9
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.