CID 5270962

Schembl7098427

Structural Information

Molecular Formula
C22H28O6
SMILES
CCCC1=CC(=O)OC2=C1C3=C(CCC(O3)(C)C)C(=C2C(=O)CC)OCCO
InChI
InChI=1S/C22H28O6/c1-5-7-13-12-16(25)27-21-17(13)20-14(8-9-22(3,4)28-20)19(26-11-10-23)18(21)15(24)6-2/h12,23H,5-11H2,1-4H3
InChIKey
REKLPEBDAOHRAI-UHFFFAOYSA-N
Compound name
5-(2-hydroxyethoxy)-2,2-dimethyl-6-propanoyl-10-propyl-3,4-dihydropyrano[2,3-f]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

388.1886 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.19588 192.1
[M+Na]+ 411.17782 200.3
[M-H]- 387.18132 197.4
[M+NH4]+ 406.22242 204.9
[M+K]+ 427.15176 199.2
[M+H-H2O]+ 371.18586 184.7
[M+HCOO]- 433.18680 205.6
[M+CH3COO]- 447.20245 223.3
[M+Na-2H]- 409.16327 195.1
[M]+ 388.18805 199.9
[M]- 388.18915 199.9
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