CID 50345

4-acridinecarboxamide, 9-(2-methoxy-4-(propylsulfonamido)anilino)-, hydrochloride

Structural Information

Molecular Formula
C24H24N4O4S
SMILES
CCCS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=C(C3=NC4=CC=CC=C42)C(=O)N)OC
InChI
InChI=1S/C24H24N4O4S/c1-3-13-33(30,31)28-15-11-12-20(21(14-15)32-2)27-22-16-7-4-5-10-19(16)26-23-17(22)8-6-9-18(23)24(25)29/h4-12,14,28H,3,13H2,1-2H3,(H2,25,29)(H,26,27)
InChIKey
LMTQTHHZBBPTKH-UHFFFAOYSA-N
Compound name
9-[2-methoxy-4-(propylsulfonylamino)anilino]acridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

464.15182 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.15910 207.5
[M+Na]+ 487.14104 214.6
[M-H]- 463.14454 213.9
[M+NH4]+ 482.18564 215.4
[M+K]+ 503.11498 208.7
[M+H-H2O]+ 447.14908 197.4
[M+HCOO]- 509.15002 223.5
[M+CH3COO]- 523.16567 241.9
[M+Na-2H]- 485.12649 214.1
[M]+ 464.15127 212.8
[M]- 464.15237 212.8
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.