CID 500496

1,3,5-trihydroxy-10-methyl-2,4-dipentyl-acridin-9-one

Structural Information

Molecular Formula
C24H31NO4
SMILES
CCCCCC1=C2C(=C(C(=C1O)CCCCC)O)C(=O)C3=C(N2C)C(=CC=C3)O
InChI
InChI=1S/C24H31NO4/c1-4-6-8-11-16-21-19(24(29)17(22(16)27)12-9-7-5-2)23(28)15-13-10-14-18(26)20(15)25(21)3/h10,13-14,26-27,29H,4-9,11-12H2,1-3H3
InChIKey
SLQUHHSUVIDRNS-UHFFFAOYSA-N
Compound name
1,3,5-trihydroxy-10-methyl-2,4-dipentylacridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

397.2253 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.23258 200.1
[M+Na]+ 420.21452 210.0
[M-H]- 396.21802 201.0
[M+NH4]+ 415.25912 211.4
[M+K]+ 436.18846 203.0
[M+H-H2O]+ 380.22256 191.9
[M+HCOO]- 442.22350 215.1
[M+CH3COO]- 456.23915 224.2
[M+Na-2H]- 418.19997 200.5
[M]+ 397.22475 207.2
[M]- 397.22585 207.2
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.