CID 3001668

Chembl7693

Structural Information

Molecular Formula
C22H28O5
SMILES
CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C(=C2C(CC)O)OCC
InChI
InChI=1S/C22H28O5/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/h10-12,15,23H,6-9H2,1-5H3
InChIKey
AXGJKBJCZOQDTI-UHFFFAOYSA-N
Compound name
5-ethoxy-6-(1-hydroxypropyl)-2,2-dimethyl-10-propylpyrano[2,3-f]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

372.19366 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.20094 190.2
[M+Na]+ 395.18288 199.4
[M-H]- 371.18638 196.0
[M+NH4]+ 390.22748 204.0
[M+K]+ 411.15682 198.0
[M+H-H2O]+ 355.19092 182.7
[M+HCOO]- 417.19186 204.9
[M+CH3COO]- 431.20751 221.3
[M+Na-2H]- 393.16833 193.7
[M]+ 372.19311 198.6
[M]- 372.19421 198.6
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.