CID 5270959

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

Structural Information

Molecular Formula
C23H24O5
SMILES
CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C(=C2C(=O)CC)OCC#C
InChI
InChI=1S/C23H24O5/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/h2,10-11,13H,6,8-9,12H2,1,3-5H3
InChIKey
NVMYVOZZMJDBHI-UHFFFAOYSA-N
Compound name
2,2-dimethyl-6-propanoyl-10-propyl-5-prop-2-ynoxypyrano[2,3-f]chromen-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.16238 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.16966 188.7
[M+Na]+ 403.15160 201.7
[M-H]- 379.15510 193.5
[M+NH4]+ 398.19620 201.2
[M+K]+ 419.12554 195.7
[M+H-H2O]+ 363.15964 175.6
[M+HCOO]- 425.16058 200.0
[M+CH3COO]- 439.17623 227.7
[M+Na-2H]- 401.13705 191.3
[M]+ 380.16183 191.5
[M]- 380.16293 191.5
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.