CID 12314036

Peltogynin

Structural Information

Molecular Formula
C16H10O6
SMILES
C1C2=CC(=C(C=C2C3=C(O1)C(=O)C4=C(O3)C=C(C=C4)O)O)O
InChI
InChI=1S/C16H10O6/c17-8-1-2-9-13(4-8)22-15-10-5-12(19)11(18)3-7(10)6-21-16(15)14(9)20/h1-5,17-19H,6H2
InChIKey
QBUSUQDEAYFGJG-UHFFFAOYSA-N
Compound name
2,3,10-trihydroxy-5H-isochromeno[4,3-b]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.04773 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.05501 160.6
[M+Na]+ 321.03695 172.0
[M-H]- 297.04045 165.9
[M+NH4]+ 316.08155 174.8
[M+K]+ 337.01089 169.8
[M+H-H2O]+ 281.04499 153.6
[M+HCOO]- 343.04593 175.3
[M+CH3COO]- 357.06158 172.7
[M+Na-2H]- 319.02240 169.6
[M]+ 298.04718 164.2
[M]- 298.04828 164.2
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

No patent data available for this compound.