CID 5270960

2,2-dimethyl-6-propanoyl-10-propyl-5-prop-2-ynoxy-3,4-dihydropyrano[2,3-f]chromen-8-one

Structural Information

Molecular Formula
C23H26O5
SMILES
CCCC1=CC(=O)OC2=C1C3=C(CCC(O3)(C)C)C(=C2C(=O)CC)OCC#C
InChI
InChI=1S/C23H26O5/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/h2,13H,6,8-12H2,1,3-5H3
InChIKey
UXWMLKSFXHVTID-UHFFFAOYSA-N
Compound name
2,2-dimethyl-6-propanoyl-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

382.178 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.185276 188.3
[M+Na]+ 405.167218 200.4
[M-H]- 381.170724 192.7
[M+NH4]+ 400.211823 200.6
[M+K]+ 421.141158 194.4
[M+H-H2O]+ 365.175260 175.3
[M+HCOO]- 427.176201 198.3
[M+CH3COO]- 441.191851 228.1
[M+Na-2H]- 403.152666 190.2
[M]+ 382.17745142 189.9
[M]- 382.17854858 189.9
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

No patent data available for this compound.