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]+ 381.169656 188.7
[M+Na]+ 403.151598 201.7
[M-H]- 379.155104 193.5
[M+NH4]+ 398.196203 201.2
[M+K]+ 419.125538 195.7
[M+H-H2O]+ 363.159640 175.6
[M+HCOO]- 425.160581 200.0
[M+CH3COO]- 439.176231 227.7
[M+Na-2H]- 401.137046 191.3
[M]+ 380.16183142 191.5
[M]- 380.16292858 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.