CID 5494830

1,5-dihydroxy-3-methoxy-10-methyl-4-pentyl-acridin-9-one

Structural Information

Molecular Formula
C20H23NO4
SMILES
CCCCCC1=C(C=C(C2=C1N(C3=C(C2=O)C=CC=C3O)C)O)OC
InChI
InChI=1S/C20H23NO4/c1-4-5-6-8-12-16(25-3)11-15(23)17-19(12)21(2)18-13(20(17)24)9-7-10-14(18)22/h7,9-11,22-23H,4-6,8H2,1-3H3
InChIKey
XFCJKOJRIFPUSG-UHFFFAOYSA-N
Compound name
1,5-dihydroxy-3-methoxy-10-methyl-4-pentylacridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

341.16272 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17000 181.3
[M+Na]+ 364.15194 192.7
[M-H]- 340.15544 184.0
[M+NH4]+ 359.19654 195.4
[M+K]+ 380.12588 187.1
[M+H-H2O]+ 324.15998 173.3
[M+HCOO]- 386.16092 199.3
[M+CH3COO]- 400.17657 213.3
[M+Na-2H]- 362.13739 185.0
[M]+ 341.16217 188.5
[M]- 341.16327 188.5
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.