CID 50347

4-acridinecarboxamide, 9-((4-((butylsulfonyl)amino)-2-methoxyphenyl)amino)-, hydrochloride

Structural Information

Molecular Formula
C25H26N4O4S
SMILES
CCCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=C(C3=NC4=CC=CC=C42)C(=O)N)OC
InChI
InChI=1S/C25H26N4O4S/c1-3-4-14-34(31,32)29-16-12-13-21(22(15-16)33-2)28-23-17-8-5-6-11-20(17)27-24-18(23)9-7-10-19(24)25(26)30/h5-13,15,29H,3-4,14H2,1-2H3,(H2,26,30)(H,27,28)
InChIKey
CSJKYRQBXZYIAK-UHFFFAOYSA-N
Compound name
9-[4-(butylsulfonylamino)-2-methoxyanilino]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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 218.2
[M-H]- 477.16020 217.8
[M+NH4]+ 496.20130 218.9
[M+K]+ 517.13064 212.2
[M+H-H2O]+ 461.16474 201.3
[M+HCOO]- 523.16568 227.2
[M+CH3COO]- 537.18133 244.7
[M+Na-2H]- 499.14215 217.8
[M]+ 478.16693 217.2
[M]- 478.16803 217.2
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.