CID 5270967

Schembl7097929

Structural Information

Molecular Formula
C21H28O5
SMILES
CCCC1=CC(=O)OC2=C1C3=C(CCC(O3)(C)C)C(=C2C(CC)O)OC
InChI
InChI=1S/C21H28O5/c1-6-8-12-11-15(23)25-20-16(12)19-13(9-10-21(3,4)26-19)18(24-5)17(20)14(22)7-2/h11,14,22H,6-10H2,1-5H3
InChIKey
OSLKKQHNQKRWBS-UHFFFAOYSA-N
Compound name
6-(1-hydroxypropyl)-5-methoxy-2,2-dimethyl-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

360.19366 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.20094 186.2
[M+Na]+ 383.18288 194.9
[M-H]- 359.18638 191.8
[M+NH4]+ 378.22748 200.5
[M+K]+ 399.15682 193.8
[M+H-H2O]+ 343.19092 179.1
[M+HCOO]- 405.19186 199.8
[M+CH3COO]- 419.20751 218.7
[M+Na-2H]- 381.16833 189.5
[M]+ 360.19311 192.9
[M]- 360.19421 192.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.