CID 14824648

Dehydroaltenusin

Structural Information

Molecular Formula
C15H12O6
SMILES
C[C@]12C=C(C(=O)C=C1C3=C(C(=CC(=C3)OC)O)C(=O)O2)O
InChI
InChI=1S/C15H12O6/c1-15-6-12(18)10(16)5-9(15)8-3-7(20-2)4-11(17)13(8)14(19)21-15/h3-6,17-18H,1-2H3/t15-/m0/s1
InChIKey
YWYZLBQRCUAQAV-HNNXBMFYSA-N
Compound name
(4aS)-3,7-dihydroxy-9-methoxy-4a-methylbenzo[c]chromene-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

12
References

15
Patents

288.0634 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07068 160.3
[M+Na]+ 311.05262 174.1
[M+NH4]+ 306.09722 168.8
[M+K]+ 327.02656 167.3
[M-H]- 287.05612 162.8
[M+Na-2H]- 309.03807 164.5
[M]+ 288.06285 163.1
[M]- 288.06395 163.1
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