CID 50349

4-acridinecarboxamide, 9-((2-methoxy-4-((pentylsulfonyl)amino)phenyl)amino)-, hydrochloride

Structural Information

Molecular Formula
C26H28N4O4S
SMILES
CCCCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=C(C3=NC4=CC=CC=C42)C(=O)N)OC
InChI
InChI=1S/C26H28N4O4S/c1-3-4-7-15-35(32,33)30-17-13-14-22(23(16-17)34-2)29-24-18-9-5-6-12-21(18)28-25-19(24)10-8-11-20(25)26(27)31/h5-6,8-14,16,30H,3-4,7,15H2,1-2H3,(H2,27,31)(H,28,29)
InChIKey
DEOCEPCXXBRRET-UHFFFAOYSA-N
Compound name
9-[2-methoxy-4-(pentylsulfonylamino)anilino]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

492.18314 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 493.19042 216.1
[M+Na]+ 515.17236 228.5
[M+NH4]+ 510.21696 221.4
[M+K]+ 531.14630 219.3
[M-H]- 491.17586 220.9
[M+Na-2H]- 513.15781 222.9
[M]+ 492.18259 219.6
[M]- 492.18369 219.6
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.