CID 391140

Nsc689866

Structural Information

Molecular Formula
C22H18N4O6S
SMILES
CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=C2C=CC=C4OC)[N+](=O)[O-]
InChI
InChI=1S/C22H18N4O6S/c1-13(27)25-33(30,31)16-9-6-14(7-10-16)23-21-17-11-8-15(26(28)29)12-19(17)24-22-18(21)4-3-5-20(22)32-2/h3-12H,1-2H3,(H,23,24)(H,25,27)
InChIKey
KLGGLDLGANYVDE-UHFFFAOYSA-N
Compound name
N-[4-[(5-methoxy-3-nitroacridin-9-yl)amino]phenyl]sulfonylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.0947 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.10198 201.6
[M+Na]+ 489.08392 207.0
[M-H]- 465.08742 208.6
[M+NH4]+ 484.12852 208.3
[M+K]+ 505.05786 198.4
[M+H-H2O]+ 449.09196 195.6
[M+HCOO]- 511.09290 218.3
[M+CH3COO]- 525.10855 231.4
[M+Na-2H]- 487.06937 212.4
[M]+ 466.09415 205.3
[M]- 466.09525 205.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.