CID 5270861

Acetamide, n-[[4-[(6-chloro-2-methoxy-9-acridinyl)amino]phenyl]sulfonyl]-

Structural Information

Molecular Formula
C22H18ClN3O4S
SMILES
CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC2=C3C=C(C=CC3=NC4=C2C=CC(=C4)Cl)OC
InChI
InChI=1S/C22H18ClN3O4S/c1-13(27)26-31(28,29)17-7-4-15(5-8-17)24-22-18-9-3-14(23)11-21(18)25-20-10-6-16(30-2)12-19(20)22/h3-12H,1-2H3,(H,24,25)(H,26,27)
InChIKey
YXTQPCNEQQWRIZ-UHFFFAOYSA-N
Compound name
N-[4-[(6-chloro-2-methoxyacridin-9-yl)amino]phenyl]sulfonylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

455.07065 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.07793 202.6
[M+Na]+ 478.05987 212.5
[M-H]- 454.06337 210.2
[M+NH4]+ 473.10447 212.7
[M+K]+ 494.03381 206.0
[M+H-H2O]+ 438.06791 194.0
[M+HCOO]- 500.06885 214.7
[M+CH3COO]- 514.08450 233.9
[M+Na-2H]- 476.04532 209.7
[M]+ 455.07010 211.4
[M]- 455.07120 211.4
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.