CID 40679

Brn 0503459

Structural Information

Molecular Formula
C24H24N4O3S
SMILES
CCCS(=O)(=O)NC1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)NC(=O)C
InChI
InChI=1S/C24H24N4O3S/c1-3-14-32(30,31)28-18-10-8-17(9-11-18)26-24-20-6-4-5-7-22(20)27-23-15-19(25-16(2)29)12-13-21(23)24/h4-13,15,28H,3,14H2,1-2H3,(H,25,29)(H,26,27)
InChIKey
VQDSQPDTXHBDCG-UHFFFAOYSA-N
Compound name
N-[9-[4-(propylsulfonylamino)anilino]acridin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

448.15692 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.16420 203.4
[M+Na]+ 471.14614 210.3
[M-H]- 447.14964 210.1
[M+NH4]+ 466.19074 212.3
[M+K]+ 487.12008 203.7
[M+H-H2O]+ 431.15418 193.4
[M+HCOO]- 493.15512 220.0
[M+CH3COO]- 507.17077 238.1
[M+Na-2H]- 469.13159 211.4
[M]+ 448.15637 207.9
[M]- 448.15747 207.9
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.