CID 5270968

6-(1-hydroxypropyl)-2,2-dimethyl-10-propyl-5-prop-2-ynoxy-3,4-dihydropyrano[2,3-f]chromen-8-one

Structural Information

Molecular Formula
C23H28O5
SMILES
CCCC1=CC(=O)OC2=C1C3=C(CCC(O3)(C)C)C(=C2C(CC)O)OCC#C
InChI
InChI=1S/C23H28O5/c1-6-9-14-13-17(25)27-22-18(14)21-15(10-11-23(4,5)28-21)20(26-12-7-2)19(22)16(24)8-3/h2,13,16,24H,6,8-12H2,1,3-5H3
InChIKey
FVUWHUOHARYFJA-UHFFFAOYSA-N
Compound name
6-(1-hydroxypropyl)-2,2-dimethyl-10-propyl-5-prop-2-ynoxy-3,4-dihydropyrano[2,3-f]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.19366 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.20094 190.4
[M+Na]+ 407.18288 201.8
[M-H]- 383.18638 193.6
[M+NH4]+ 402.22748 202.1
[M+K]+ 423.15682 195.8
[M+H-H2O]+ 367.19092 177.7
[M+HCOO]- 429.19186 198.9
[M+CH3COO]- 443.20751 226.7
[M+Na-2H]- 405.16833 191.8
[M]+ 384.19311 191.0
[M]- 384.19421 191.0
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.