CID 3054850

71802-78-3

Structural Information

Molecular Formula
C25H26N4O4S
SMILES
CCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)NC(=O)C)OC
InChI
InChI=1S/C25H26N4O4S/c1-4-13-34(31,32)29-18-10-12-22(24(15-18)33-3)28-25-19-7-5-6-8-21(19)27-23-14-17(26-16(2)30)9-11-20(23)25/h5-12,14-15,29H,4,13H2,1-3H3,(H,26,30)(H,27,28)
InChIKey
FTXKMHUVJHUNHC-UHFFFAOYSA-N
Compound name
N-[9-[2-methoxy-4-(propylsulfonylamino)anilino]acridin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

478.16748 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.17476 211.6
[M+Na]+ 501.15670 218.3
[M-H]- 477.16020 218.4
[M+NH4]+ 496.20130 219.3
[M+K]+ 517.13064 212.6
[M+H-H2O]+ 461.16474 201.3
[M+HCOO]- 523.16568 227.9
[M+CH3COO]- 537.18133 244.5
[M+Na-2H]- 499.14215 218.7
[M]+ 478.16693 218.0
[M]- 478.16803 218.0
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.