CID 40680

53222-01-8

Structural Information

Molecular Formula
C25H26N4O3S
SMILES
CCCCS(=O)(=O)NC1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)NC(=O)C
InChI
InChI=1S/C25H26N4O3S/c1-3-4-15-33(31,32)29-19-11-9-18(10-12-19)27-25-21-7-5-6-8-23(21)28-24-16-20(26-17(2)30)13-14-22(24)25/h5-14,16,29H,3-4,15H2,1-2H3,(H,26,30)(H,27,28)
InChIKey
LFOIUTFFTRKVSX-UHFFFAOYSA-N
Compound name
N-[9-[4-(butylsulfonylamino)anilino]acridin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

462.17258 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.17986 208.3
[M+Na]+ 485.16180 221.4
[M+NH4]+ 480.20640 214.5
[M+K]+ 501.13574 211.4
[M-H]- 461.16530 213.7
[M+Na-2H]- 483.14725 216.4
[M]+ 462.17203 212.1
[M]- 462.17313 212.1
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.