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

2
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

literature stripe

Patent stripe

patents stripe