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]+ 308.09175 167.5
[M+Na]+ 330.07369 181.7
[M-H]- 306.07719 174.4
[M+NH4]+ 325.11829 184.9
[M+K]+ 346.04763 177.4
[M+H-H2O]+ 290.08173 160.7
[M+HCOO]- 352.08267 188.1
[M+CH3COO]- 366.09832 181.2
[M+Na-2H]- 328.05914 173.8
[M]+ 307.08392 175.8
[M]- 307.08502 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.