CID 364459

Acenilacrone

Structural Information

Molecular Formula
C24H19N3O7S
SMILES
CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=CC3=C2NC4=CC=CC=C4C3=O
InChI
InChI=1S/C24H19N3O7S/c1-14(28)27-35(32,33)16-11-9-15(10-12-16)25-21(29)13-34-24(31)19-7-4-6-18-22(19)26-20-8-3-2-5-17(20)23(18)30/h2-12H,13H2,1H3,(H,25,29)(H,26,30)(H,27,28)
InChIKey
VKIRZVBAJJKUJH-UHFFFAOYSA-N
Compound name
[2-[4-(acetylsulfamoyl)anilino]-2-oxoethyl] 9-oxo-10H-acridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

493.09436 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 494.10164 209.5
[M+Na]+ 516.08358 215.2
[M-H]- 492.08708 215.0
[M+NH4]+ 511.12818 215.2
[M+K]+ 532.05752 211.1
[M+H-H2O]+ 476.09162 200.0
[M+HCOO]- 538.09256 222.7
[M+CH3COO]- 552.10821 238.7
[M+Na-2H]- 514.06903 215.8
[M]+ 493.09381 214.9
[M]- 493.09491 214.9
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.