CID 5494825

1,3-dihydroxy-10-methyl-4-pentyl-acridin-9-one

Structural Information

Molecular Formula
C19H21NO3
SMILES
CCCCCC1=C2C(=C(C=C1O)O)C(=O)C3=CC=CC=C3N2C
InChI
InChI=1S/C19H21NO3/c1-3-4-5-9-13-15(21)11-16(22)17-18(13)20(2)14-10-7-6-8-12(14)19(17)23/h6-8,10-11,21-22H,3-5,9H2,1-2H3
InChIKey
ZOQUXESJDGSHJF-UHFFFAOYSA-N
Compound name
1,3-dihydroxy-10-methyl-4-pentylacridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.15213 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.159406 173.4
[M+Na]+ 334.141348 184.7
[M-H]- 310.144854 176.0
[M+NH4]+ 329.185953 188.6
[M+K]+ 350.115288 178.4
[M+H-H2O]+ 294.149390 165.7
[M+HCOO]- 356.150331 191.7
[M+CH3COO]- 370.165981 206.8
[M+Na-2H]- 332.126796 178.3
[M]+ 311.15158142 178.4
[M]- 311.15267858 178.4
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.