CID 5494831

1,6-dihydroxy-3,5-dimethoxy-10-methyl-4-pentyl-acridin-9-one

Structural Information

Molecular Formula
C21H25NO5
SMILES
CCCCCC1=C(C=C(C2=C1N(C3=C(C2=O)C=CC(=C3OC)O)C)O)OC
InChI
InChI=1S/C21H25NO5/c1-5-6-7-8-12-16(26-3)11-15(24)17-18(12)22(2)19-13(20(17)25)9-10-14(23)21(19)27-4/h9-11,23-24H,5-8H2,1-4H3
InChIKey
HBTNLAARZMPOKW-UHFFFAOYSA-N
Compound name
1,6-dihydroxy-3,5-dimethoxy-10-methyl-4-pentylacridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

371.17328 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.18056 188.9
[M+Na]+ 394.16250 200.4
[M-H]- 370.16600 191.7
[M+NH4]+ 389.20710 201.9
[M+K]+ 410.13644 195.5
[M+H-H2O]+ 354.17054 180.7
[M+HCOO]- 416.17148 206.6
[M+CH3COO]- 430.18713 219.8
[M+Na-2H]- 392.14795 191.5
[M]+ 371.17273 198.2
[M]- 371.17383 198.2
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.