CID 14380428

Hallacridone

Structural Information

Molecular Formula
C18H13NO4
SMILES
CC(=O)C1=CC2=C(O1)C=C(C3=C2N(C4=CC=CC=C4C3=O)C)O
InChI
InChI=1S/C18H13NO4/c1-9(20)14-7-11-15(23-14)8-13(21)16-17(11)19(2)12-6-4-3-5-10(12)18(16)22/h3-8,21H,1-2H3
InChIKey
GZVRDNACRGJZNW-UHFFFAOYSA-N
Compound name
2-acetyl-5-hydroxy-11-methylfuro[2,3-c]acridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.08447 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.091746 167.5
[M+Na]+ 330.073688 181.7
[M-H]- 306.077194 174.4
[M+NH4]+ 325.118293 184.9
[M+K]+ 346.047628 177.4
[M+H-H2O]+ 290.081730 160.7
[M+HCOO]- 352.082671 188.1
[M+CH3COO]- 366.098321 181.2
[M+Na-2H]- 328.059136 173.8
[M]+ 307.08392142 175.8
[M]- 307.08501858 175.8
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.