CID 5270963

5-ethoxy-2,2-dimethyl-10-propanoyl-6-propyl-pyrano[3,2-g]chromen-8-one

Structural Information

Molecular Formula
C22H26O5
SMILES
CCCC1=CC(=O)OC2=C(C3=C(C=CC(O3)(C)C)C(=C12)OCC)C(=O)CC
InChI
InChI=1S/C22H26O5/c1-6-9-13-12-16(24)26-21-17(13)19(25-8-3)14-10-11-22(4,5)27-20(14)18(21)15(23)7-2/h10-12H,6-9H2,1-5H3
InChIKey
RWAHALKINRBYJW-UHFFFAOYSA-N
Compound name
5-ethoxy-2,2-dimethyl-10-propanoyl-6-propylpyrano[3,2-g]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
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

patents stripe