CID 3054860

Methanesulfonanilide, 3'-methoxy-4'-(4-propoxy-9-acridinylamino)-, hydrochloride

Structural Information

Molecular Formula
C24H25N3O4S
SMILES
CCCOC1=CC=CC2=C(C3=CC=CC=C3N=C21)NC4=C(C=C(C=C4)NS(=O)(=O)C)OC
InChI
InChI=1S/C24H25N3O4S/c1-4-14-31-21-11-7-9-18-23(17-8-5-6-10-19(17)25-24(18)21)26-20-13-12-16(15-22(20)30-2)27-32(3,28)29/h5-13,15,27H,4,14H2,1-3H3,(H,25,26)
InChIKey
SKGMMBXSAYSIEC-UHFFFAOYSA-N
Compound name
N-[3-methoxy-4-[(4-propoxyacridin-9-yl)amino]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

451.1566 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.16388 206.4
[M+Na]+ 474.14582 214.6
[M-H]- 450.14932 213.4
[M+NH4]+ 469.19042 215.7
[M+K]+ 490.11976 208.7
[M+H-H2O]+ 434.15386 196.1
[M+HCOO]- 496.15480 222.9
[M+CH3COO]- 510.17045 236.7
[M+Na-2H]- 472.13127 213.7
[M]+ 451.15605 214.4
[M]- 451.15715 214.4
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.