CID 149568

Brn 0504670

Structural Information

Molecular Formula
C24H25N3O6S
SMILES
COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=C(C3=NC4=CC=CC=C42)OCC(CO)O
InChI
InChI=1S/C24H25N3O6S/c1-32-22-12-15(27-34(2,30)31)10-11-20(22)26-23-17-6-3-4-8-19(17)25-24-18(23)7-5-9-21(24)33-14-16(29)13-28/h3-12,16,27-29H,13-14H2,1-2H3,(H,25,26)
InChIKey
MGFDGIWLLUPLPE-UHFFFAOYSA-N
Compound name
N-[4-[[4-(2,3-dihydroxypropoxy)acridin-9-yl]amino]-3-methoxyphenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

483.1464 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.15368 210.9
[M+Na]+ 506.13562 223.2
[M+NH4]+ 501.18022 215.7
[M+K]+ 522.10956 215.6
[M-H]- 482.13912 214.1
[M+Na-2H]- 504.12107 217.1
[M]+ 483.14585 213.9
[M]- 483.14695 213.9
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.