CID 5276834

8-hydroxy-2-methoxy-6-[(e)-prop-1-enoxy]-9a,10-dihydro-4ah-acridin-9-one

Structural Information

Molecular Formula
C17H17NO4
SMILES
C/C=C/OC1=CC2=C(C(=C1)O)C(=O)C3C=C(C=CC3N2)OC
InChI
InChI=1S/C17H17NO4/c1-3-6-22-11-8-14-16(15(19)9-11)17(20)12-7-10(21-2)4-5-13(12)18-14/h3-9,12-13,18-19H,1-2H3/b6-3+
InChIKey
XWFGXGLCXXZBTL-ZZXKWVIFSA-N
Compound name
8-hydroxy-2-methoxy-6-[(E)-prop-1-enoxy]-9a,10-dihydro-4aH-acridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.11575 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.12303 167.8
[M+Na]+ 322.10497 176.3
[M-H]- 298.10847 169.2
[M+NH4]+ 317.14957 182.8
[M+K]+ 338.07891 170.9
[M+H-H2O]+ 282.11301 160.4
[M+HCOO]- 344.11395 183.0
[M+CH3COO]- 358.12960 201.3
[M+Na-2H]- 320.09042 171.9
[M]+ 299.11520 168.2
[M]- 299.11630 168.2
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.