CID 135418

Pentanesulfonamide, n-(4-(acridin-9-ylamino)-3-methoxyphenyl)-, methanesulfonate

Structural Information

Molecular Formula
C25H27N3O3S
SMILES
CCCCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)OC
InChI
InChI=1S/C25H27N3O3S/c1-3-4-9-16-32(29,30)28-18-14-15-23(24(17-18)31-2)27-25-19-10-5-7-12-21(19)26-22-13-8-6-11-20(22)25/h5-8,10-15,17,28H,3-4,9,16H2,1-2H3,(H,26,27)
InChIKey
KQJAQQAWRNUSOU-UHFFFAOYSA-N
Compound name
N-[4-(acridin-9-ylamino)-3-methoxyphenyl]pentane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

449.1773 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.18458 207.1
[M+Na]+ 472.16652 221.9
[M+NH4]+ 467.21112 214.3
[M+K]+ 488.14046 210.6
[M-H]- 448.17002 212.8
[M+Na-2H]- 470.15197 215.8
[M]+ 449.17675 211.5
[M]- 449.17785 211.5
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.