CID 502055

Schembl7249235

Structural Information

Molecular Formula
C20H22O5
SMILES
CCCC1=CC(=O)OC2=CC(=C3C=CC(OC3=C12)(C)C)OC(=O)CC
InChI
InChI=1S/C20H22O5/c1-5-7-12-10-17(22)24-15-11-14(23-16(21)6-2)13-8-9-20(3,4)25-19(13)18(12)15/h8-11H,5-7H2,1-4H3
InChIKey
HVJILOIKYWCPKZ-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-8-oxo-10-propylpyrano[2,3-f]chromen-5-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

342.14673 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.15401 179.0
[M+Na]+ 365.13595 189.1
[M-H]- 341.13945 186.3
[M+NH4]+ 360.18055 194.5
[M+K]+ 381.10989 188.2
[M+H-H2O]+ 325.14399 171.5
[M+HCOO]- 387.14493 196.2
[M+CH3COO]- 401.16058 215.0
[M+Na-2H]- 363.12140 184.8
[M]+ 342.14618 187.4
[M]- 342.14728 187.4
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