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 219.0
[M+Na]+ 514.21349 225.0
[M-H]- 490.21699 224.9
[M+NH4]+ 509.25809 226.5
[M+K]+ 530.18743 217.4
[M+H-H2O]+ 474.22153 208.0
[M+HCOO]- 536.22247 234.1
[M+CH3COO]- 550.23812 244.6
[M+Na-2H]- 512.19894 224.9
[M]+ 491.22372 226.5
[M]- 491.22482 226.5
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.