CID 5494829

1-hydroxy-3-methoxy-10-methyl-4-pentyl-acridin-9-one

Structural Information

Molecular Formula
C20H23NO3
SMILES
CCCCCC1=C(C=C(C2=C1N(C3=CC=CC=C3C2=O)C)O)OC
InChI
InChI=1S/C20H23NO3/c1-4-5-6-10-14-17(24-3)12-16(22)18-19(14)21(2)15-11-8-7-9-13(15)20(18)23/h7-9,11-12,22H,4-6,10H2,1-3H3
InChIKey
SQUJODFMWBUUIT-UHFFFAOYSA-N
Compound name
1-hydroxy-3-methoxy-10-methyl-4-pentylacridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.1678 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.17508 177.8
[M+Na]+ 348.15702 189.1
[M-H]- 324.16052 181.5
[M+NH4]+ 343.20162 193.1
[M+K]+ 364.13096 183.3
[M+H-H2O]+ 308.16506 169.5
[M+HCOO]- 370.16600 197.3
[M+CH3COO]- 384.18165 212.0
[M+Na-2H]- 346.14247 182.5
[M]+ 325.16725 184.9
[M]- 325.16835 184.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.