CID 40684

53222-05-2

Structural Information

Molecular Formula
C27H30N4O3S
SMILES
CCCCCCS(=O)(=O)NC1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)NC(=O)C
InChI
InChI=1S/C27H30N4O3S/c1-3-4-5-8-17-35(33,34)31-21-13-11-20(12-14-21)29-27-23-9-6-7-10-25(23)30-26-18-22(28-19(2)32)15-16-24(26)27/h6-7,9-16,18,31H,3-5,8,17H2,1-2H3,(H,28,32)(H,29,30)
InChIKey
CSXODDCLJJBPLN-UHFFFAOYSA-N
Compound name
N-[9-[4-(hexylsulfonylamino)anilino]acridin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

490.20386 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.21114 215.8
[M+Na]+ 513.19308 221.2
[M-H]- 489.19658 221.8
[M+NH4]+ 508.23768 222.8
[M+K]+ 529.16702 214.1
[M+H-H2O]+ 473.20112 205.1
[M+HCOO]- 535.20206 231.3
[M+CH3COO]- 549.21771 246.6
[M+Na-2H]- 511.17853 222.4
[M]+ 490.20331 221.0
[M]- 490.20441 221.0
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.