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]+ 312.15941 173.4
[M+Na]+ 334.14135 184.7
[M-H]- 310.14485 176.0
[M+NH4]+ 329.18595 188.6
[M+K]+ 350.11529 178.4
[M+H-H2O]+ 294.14939 165.7
[M+HCOO]- 356.15033 191.8
[M+CH3COO]- 370.16598 206.8
[M+Na-2H]- 332.12680 178.3
[M]+ 311.15158 178.4
[M]- 311.15268 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.