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 206.5
[M+Na]+ 472.16652 214.0
[M-H]- 448.17002 213.1
[M+NH4]+ 467.21112 215.9
[M+K]+ 488.14046 206.9
[M+H-H2O]+ 432.17456 196.2
[M+HCOO]- 494.17550 222.7
[M+CH3COO]- 508.19115 236.1
[M+Na-2H]- 470.15197 213.8
[M]+ 449.17675 213.1
[M]- 449.17785 213.1
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.