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]+ 339.15908 177.8
[M+Na]+ 361.14102 188.2
[M-H]- 337.14452 185.3
[M+NH4]+ 356.18562 193.8
[M+K]+ 377.11496 184.9
[M+H-H2O]+ 321.14906 169.1
[M+HCOO]- 383.15000 195.7
[M+CH3COO]- 397.16565 189.7
[M+Na-2H]- 359.12647 184.1
[M]+ 338.15125 184.2
[M]- 338.15235 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.