CID 468477

Chembl7485

Structural Information

Molecular Formula
C22H26O5
SMILES
CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C(=C2C(=O)CC)OCC
InChI
InChI=1S/C22H26O5/c1-6-9-13-12-16(24)26-21-17(13)20-14(10-11-22(4,5)27-20)19(25-8-3)18(21)15(23)7-2/h10-12H,6-9H2,1-5H3
InChIKey
APJZLQGETNYMGE-UHFFFAOYSA-N
Compound name
5-ethoxy-2,2-dimethyl-6-propanoyl-10-propylpyrano[2,3-f]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

370.178 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.18528 187.8
[M+Na]+ 393.16722 197.7
[M-H]- 369.17072 195.0
[M+NH4]+ 388.21182 202.3
[M+K]+ 409.14116 196.6
[M+H-H2O]+ 353.17526 180.2
[M+HCOO]- 415.17620 204.2
[M+CH3COO]- 429.19185 222.9
[M+Na-2H]- 391.15267 191.9
[M]+ 370.17745 197.3
[M]- 370.17855 197.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.