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]+ 347.14891 178.6
[M+Na]+ 369.13085 185.1
[M-H]- 345.13435 183.7
[M+NH4]+ 364.17545 191.5
[M+K]+ 385.10479 185.2
[M+H-H2O]+ 329.13889 171.3
[M+HCOO]- 391.13983 196.5
[M+CH3COO]- 405.15548 215.6
[M+Na-2H]- 367.11630 179.1
[M]+ 346.14108 186.7
[M]- 346.14218 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.