CID 5270862

827025-29-6

Structural Information

Molecular Formula
C22H19N3O4S
SMILES
CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC2=C3C=C(C=CC3=NC4=CC=CC=C42)OC
InChI
InChI=1S/C22H19N3O4S/c1-14(26)25-30(27,28)17-10-7-15(8-11-17)23-22-18-5-3-4-6-20(18)24-21-12-9-16(29-2)13-19(21)22/h3-13H,1-2H3,(H,23,24)(H,25,26)
InChIKey
UKUPBUBEBMSVLG-UHFFFAOYSA-N
Compound name
N-[4-[(2-methoxyacridin-9-yl)amino]phenyl]sulfonylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

421.10962 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.11690 196.4
[M+Na]+ 444.09884 204.8
[M-H]- 420.10234 203.7
[M+NH4]+ 439.14344 206.6
[M+K]+ 460.07278 199.2
[M+H-H2O]+ 404.10688 186.8
[M+HCOO]- 466.10782 212.9
[M+CH3COO]- 480.12347 229.3
[M+Na-2H]- 442.08429 204.5
[M]+ 421.10907 202.2
[M]- 421.11017 202.2
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.