CID 6450922

Oblongulide

Structural Information

Molecular Formula
C21H22O5
SMILES
C/C=C(\C)/C(=O)C1=C(C2=C(C3=C1OC(=O)C=C3C)OC(C=C2)(C)C)OC
InChI
InChI=1S/C21H22O5/c1-7-11(2)17(23)16-18(24-6)13-8-9-21(4,5)26-19(13)15-12(3)10-14(22)25-20(15)16/h7-10H,1-6H3/b11-7+
InChIKey
MBFFYFBHNRLSMO-YRNVUSSQSA-N
Compound name
5-methoxy-2,2,10-trimethyl-6-[(E)-2-methylbut-2-enoyl]pyrano[2,3-f]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.14673 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.15401 180.9
[M+Na]+ 377.13595 191.4
[M-H]- 353.13945 188.5
[M+NH4]+ 372.18055 196.1
[M+K]+ 393.10989 190.5
[M+H-H2O]+ 337.14399 174.0
[M+HCOO]- 399.14493 197.0
[M+CH3COO]- 413.16058 219.6
[M+Na-2H]- 375.12140 184.6
[M]+ 354.14618 188.9
[M]- 354.14728 188.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.