CID 360483

Nsc622617

Structural Information

Molecular Formula
C17H20O6
SMILES
CCOC(=O)CCC1=C(C2=C(C=C(C=C2OC)OC)OC1=O)C
InChI
InChI=1S/C17H20O6/c1-5-22-15(18)7-6-12-10(2)16-13(21-4)8-11(20-3)9-14(16)23-17(12)19/h8-9H,5-7H2,1-4H3
InChIKey
WSOMLBXFEKQJIU-UHFFFAOYSA-N
Compound name
ethyl 3-(5,7-dimethoxy-4-methyl-2-oxochromen-3-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.12598 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.13326 170.3
[M+Na]+ 343.11520 180.1
[M-H]- 319.11870 176.3
[M+NH4]+ 338.15980 185.2
[M+K]+ 359.08914 179.7
[M+H-H2O]+ 303.12324 163.1
[M+HCOO]- 365.12418 191.6
[M+CH3COO]- 379.13983 210.2
[M+Na-2H]- 341.10065 174.0
[M]+ 320.12543 181.0
[M]- 320.12653 181.0
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.