CID 5281832

Arborinine

Structural Information

Molecular Formula
C16H15NO4
SMILES
CN1C2=CC=CC=C2C(=O)C3=C(C(=C(C=C31)OC)OC)O
InChI
InChI=1S/C16H15NO4/c1-17-10-7-5-4-6-9(10)14(18)13-11(17)8-12(20-2)16(21-3)15(13)19/h4-8,19H,1-3H3
InChIKey
ATBZZQPALSPNMF-UHFFFAOYSA-N
Compound name
1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

21
References

24
Patents

285.1001 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.107376 161.9
[M+Na]+ 308.089318 174.9
[M-H]- 284.092824 166.5
[M+NH4]+ 303.133923 178.9
[M+K]+ 324.063258 170.7
[M+H-H2O]+ 268.097360 154.3
[M+HCOO]- 330.098301 183.0
[M+CH3COO]- 344.113951 202.4
[M+Na-2H]- 306.074766 169.0
[M]+ 285.09955142 169.2
[M]- 285.10064858 169.2
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

patents stripe