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]+ 383.18528 188.3
[M+Na]+ 405.16722 200.4
[M-H]- 381.17072 192.7
[M+NH4]+ 400.21182 200.6
[M+K]+ 421.14116 194.4
[M+H-H2O]+ 365.17526 175.3
[M+HCOO]- 427.17620 198.3
[M+CH3COO]- 441.19185 228.1
[M+Na-2H]- 403.15267 190.2
[M]+ 382.17745 189.9
[M]- 382.17855 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.