CID 51405

4'-(9-acridinylamino)-3'-methoxy-1-octanesulfonanilide methanesulfonate

Structural Information

Molecular Formula
C28H33N3O3S
SMILES
CCCCCCCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)OC
InChI
InChI=1S/C28H33N3O3S/c1-3-4-5-6-7-12-19-35(32,33)31-21-17-18-26(27(20-21)34-2)30-28-22-13-8-10-15-24(22)29-25-16-11-9-14-23(25)28/h8-11,13-18,20,31H,3-7,12,19H2,1-2H3,(H,29,30)
InChIKey
KZAQIPVMTXIUJF-UHFFFAOYSA-N
Compound name
N-[4-(acridin-9-ylamino)-3-methoxyphenyl]octane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

491.22427 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.23155 220.1
[M+Na]+ 514.21349 234.2
[M+NH4]+ 509.25809 226.7
[M+K]+ 530.18743 222.3
[M-H]- 490.21699 225.6
[M+Na-2H]- 512.19894 228.0
[M]+ 491.22372 224.3
[M]- 491.22482 224.3
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.