CID 5276835

4,8-dihydroxy-5-methoxy-6,10-dimethyl-4a,9a-dihydroacridin-9-one

Structural Information

Molecular Formula
C16H17NO4
SMILES
CC1=CC(=C2C(=O)C3C=CC=C(C3N(C2=C1OC)C)O)O
InChI
InChI=1S/C16H17NO4/c1-8-7-11(19)12-14(16(8)21-3)17(2)13-9(15(12)20)5-4-6-10(13)18/h4-7,9,13,18-19H,1-3H3
InChIKey
BNELQOMUHVULHA-UHFFFAOYSA-N
Compound name
4,8-dihydroxy-5-methoxy-6,10-dimethyl-4a,9a-dihydroacridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.11575 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.12303 164.7
[M+Na]+ 310.10497 175.1
[M-H]- 286.10847 167.0
[M+NH4]+ 305.14957 180.8
[M+K]+ 326.07891 170.8
[M+H-H2O]+ 270.11301 157.9
[M+HCOO]- 332.11395 180.0
[M+CH3COO]- 346.12960 202.4
[M+Na-2H]- 308.09042 167.9
[M]+ 287.11520 166.4
[M]- 287.11630 166.4
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.