CID 149567

Brn 0464295

Structural Information

Molecular Formula
C23H23N3O5S
SMILES
COC1=C(C=CC(=C1)NS(=O)(=O)C)NC2=C3C=CC=C(C3=NC4=CC=CC=C42)OCCO
InChI
InChI=1S/C23H23N3O5S/c1-30-21-14-15(26-32(2,28)29)10-11-19(21)25-22-16-6-3-4-8-18(16)24-23-17(22)7-5-9-20(23)31-13-12-27/h3-11,14,26-27H,12-13H2,1-2H3,(H,24,25)
InChIKey
GFYQZGMHNFBVFL-UHFFFAOYSA-N
Compound name
N-[4-[[4-(2-hydroxyethoxy)acridin-9-yl]amino]-3-methoxyphenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

453.13583 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.14311 205.0
[M+Na]+ 476.12505 219.0
[M+NH4]+ 471.16965 211.1
[M+K]+ 492.09899 209.8
[M-H]- 452.12855 209.5
[M+Na-2H]- 474.11050 212.6
[M]+ 453.13528 208.8
[M]- 453.13638 208.8
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.