CID 40683

Brn 0504217

Structural Information

Molecular Formula
C26H28N4O3S
SMILES
CCCCCS(=O)(=O)NC1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=CC=CC=C42)NC(=O)C
InChI
InChI=1S/C26H28N4O3S/c1-3-4-7-16-34(32,33)30-20-12-10-19(11-13-20)28-26-22-8-5-6-9-24(22)29-25-17-21(27-18(2)31)14-15-23(25)26/h5-6,8-15,17,30H,3-4,7,16H2,1-2H3,(H,27,31)(H,28,29)
InChIKey
ARJMVZJVCUBKTH-UHFFFAOYSA-N
Compound name
N-[9-[4-(pentylsulfonylamino)anilino]acridin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

476.1882 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.19548 211.7
[M+Na]+ 499.17742 217.6
[M-H]- 475.18092 217.9
[M+NH4]+ 494.22202 219.3
[M+K]+ 515.15136 210.6
[M+H-H2O]+ 459.18546 201.3
[M+HCOO]- 521.18640 227.6
[M+CH3COO]- 535.20205 243.8
[M+Na-2H]- 497.16287 218.7
[M]+ 476.18765 216.7
[M]- 476.18875 216.7
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.