CID 389003

Nsc684436

Structural Information

Molecular Formula
C19H22O6
SMILES
CCOC(C1=C(C=CC2=C1OC(=O)C=C2)OC)C(C(=C)C)OC(=O)C
InChI
InChI=1S/C19H22O6/c1-6-23-19(17(11(2)3)24-12(4)20)16-14(22-5)9-7-13-8-10-15(21)25-18(13)16/h7-10,17,19H,2,6H2,1,3-5H3
InChIKey
UIYAOIZNXAARCI-UHFFFAOYSA-N
Compound name
[1-ethoxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-en-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.14163 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.148906 178.6
[M+Na]+ 369.130848 185.1
[M-H]- 345.134354 183.7
[M+NH4]+ 364.175453 191.5
[M+K]+ 385.104788 185.2
[M+H-H2O]+ 329.138890 171.3
[M+HCOO]- 391.139831 196.5
[M+CH3COO]- 405.155481 215.6
[M+Na-2H]- 367.116296 179.1
[M]+ 346.14108142 186.7
[M]- 346.14217858 186.7
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.