CID 14730797

Dehydromaackiain

Structural Information

Molecular Formula
C16H10O5
SMILES
C1C2=C(C3=C(O1)C=C(C=C3)O)OC4=CC5=C(C=C24)OCO5
InChI
InChI=1S/C16H10O5/c17-8-1-2-9-12(3-8)18-6-11-10-4-14-15(20-7-19-14)5-13(10)21-16(9)11/h1-5,17H,6-7H2
InChIKey
XCDMHEXDCIXKLK-UHFFFAOYSA-N
Compound name
5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaen-16-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

324
Patents

282.05283 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.06011 153.8
[M+Na]+ 305.04205 165.8
[M-H]- 281.04555 163.8
[M+NH4]+ 300.08665 171.6
[M+K]+ 321.01599 165.9
[M+H-H2O]+ 265.05009 150.5
[M+HCOO]- 327.05103 170.7
[M+CH3COO]- 341.06668 168.0
[M+Na-2H]- 303.02750 162.2
[M]+ 282.05228 160.9
[M]- 282.05338 160.9
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