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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	355.154006	180.9
[M+Na]+	377.135948	191.4
[M-H]-	353.139454	188.5
[M+NH4]+	372.180553	196.1
[M+K]+	393.109888	190.5
[M+H-H2O]+	337.143990	174.0
[M+HCOO]-	399.144931	197.0
[M+CH3COO]-	413.160581	219.6
[M+Na-2H]-	375.121396	184.6
[M]+	354.14618142	188.9
[M]-	354.14727858	188.9

Literature stripe

literature stripe

Patent stripe

patents stripe