CID 47838

66147-69-1

Structural Information

Molecular Formula
C25H27N3O2S
SMILES
CCCCCCS(=O)(=O)NC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42
InChI
InChI=1S/C25H27N3O2S/c1-2-3-4-9-18-31(29,30)28-20-16-14-19(15-17-20)26-25-21-10-5-7-12-23(21)27-24-13-8-6-11-22(24)25/h5-8,10-17,28H,2-4,9,18H2,1H3,(H,26,27)
InChIKey
PGPNVVHFHOGGFM-UHFFFAOYSA-N
Compound name
N-[4-(acridin-9-ylamino)phenyl]hexane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

433.1824 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.18968 202.3
[M+Na]+ 456.17162 209.3
[M-H]- 432.17512 208.5
[M+NH4]+ 451.21622 212.2
[M+K]+ 472.14556 201.3
[M+H-H2O]+ 416.17966 192.0
[M+HCOO]- 478.18060 218.4
[M+CH3COO]- 492.19625 210.5
[M+Na-2H]- 454.15707 210.1
[M]+ 433.18185 207.1
[M]- 433.18295 207.1
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.