CID 40676

53221-97-9

Structural Information

Molecular Formula
C23H22N4O3S
SMILES
CCS(=O)(=O)NC1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)NC(=O)C
InChI
InChI=1S/C23H22N4O3S/c1-3-31(29,30)27-17-10-8-16(9-11-17)25-23-19-6-4-5-7-21(19)26-22-14-18(24-15(2)28)12-13-20(22)23/h4-14,27H,3H2,1-2H3,(H,24,28)(H,25,26)
InChIKey
SWPICRJGDWAOAU-UHFFFAOYSA-N
Compound name
N-[9-[4-(ethylsulfonylamino)anilino]acridin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

434.14127 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.14855 199.3
[M+Na]+ 457.13049 206.6
[M-H]- 433.13399 206.2
[M+NH4]+ 452.17509 208.7
[M+K]+ 473.10443 200.2
[M+H-H2O]+ 417.13853 189.5
[M+HCOO]- 479.13947 216.2
[M+CH3COO]- 493.15512 235.2
[M+Na-2H]- 455.11594 207.7
[M]+ 434.14072 203.4
[M]- 434.14182 203.4
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.