CID 502065

Methyl 3-(2,2-dimethyl-8-oxo-10-propyl-pyrano[2,3-h]chromen-5-yl)oxy-2,2-dimethyl-propanoate

Structural Information

Molecular Formula
C23H28O6
SMILES
CCCC1=CC(=O)OC2=CC(=C3C=CC(OC3=C12)(C)C)OCC(C)(C)C(=O)OC
InChI
InChI=1S/C23H28O6/c1-7-8-14-11-18(24)28-17-12-16(27-13-22(2,3)21(25)26-6)15-9-10-23(4,5)29-20(15)19(14)17/h9-12H,7-8,13H2,1-6H3
InChIKey
RPQOBADIBAEGNP-UHFFFAOYSA-N
Compound name
methyl 3-(2,2-dimethyl-8-oxo-10-propylpyrano[2,3-f]chromen-5-yl)oxy-2,2-dimethylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

400.1886 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.19588 195.4
[M+Na]+ 423.17782 204.1
[M-H]- 399.18132 202.3
[M+NH4]+ 418.22242 208.4
[M+K]+ 439.15176 204.3
[M+H-H2O]+ 383.18586 188.0
[M+HCOO]- 445.18680 210.1
[M+CH3COO]- 459.20245 226.6
[M+Na-2H]- 421.16327 201.1
[M]+ 400.18805 205.8
[M]- 400.18915 205.8
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.