CID 376096

Nsc656579

Structural Information

Molecular Formula
C21H22O4
SMILES
CCC1CCC2=C(C1)C(=O)OC3=C4C(=C(C=C23)OC)C=CC=C4OC
InChI
InChI=1S/C21H22O4/c1-4-12-8-9-13-15-11-18(24-3)14-6-5-7-17(23-2)19(14)20(15)25-21(22)16(13)10-12/h5-7,11-12H,4,8-10H2,1-3H3
InChIKey
JMHCSLMTGSUWIO-UHFFFAOYSA-N
Compound name
8-ethyl-4,12-dimethoxy-7,8,9,10-tetrahydronaphtho[1,2-c]isochromen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1518 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.159076 177.8
[M+Na]+ 361.141018 188.2
[M-H]- 337.144524 185.3
[M+NH4]+ 356.185623 193.8
[M+K]+ 377.114958 184.9
[M+H-H2O]+ 321.149060 169.1
[M+HCOO]- 383.150001 195.7
[M+CH3COO]- 397.165651 189.7
[M+Na-2H]- 359.126466 184.1
[M]+ 338.15125142 184.2
[M]- 338.15234858 184.2
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.