CID 6479090

Lasepitin

Structural Information

Molecular Formula
C19H20O6
SMILES
C/C=C(/C)\C(=O)OC1C(C(OC2=C1C3=C(C=C2)C=CC(=O)O3)(C)C)O
InChI
InChI=1S/C19H20O6/c1-5-10(2)18(22)24-16-14-12(25-19(3,4)17(16)21)8-6-11-7-9-13(20)23-15(11)14/h5-9,16-17,21H,1-4H3/b10-5-
InChIKey
QPLSCFLMIOADPA-YHYXMXQVSA-N
Compound name
(9-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl) (Z)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.12598 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13326 176.9
[M+Na]+ 367.11520 185.8
[M-H]- 343.11870 182.6
[M+NH4]+ 362.15980 191.4
[M+K]+ 383.08914 185.3
[M+H-H2O]+ 327.12324 170.3
[M+HCOO]- 389.12418 190.9
[M+CH3COO]- 403.13983 212.2
[M+Na-2H]- 365.10065 181.1
[M]+ 344.12543 182.0
[M]- 344.12653 182.0
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.