CID 42562

3'-hydroxy-4'-(beta-diethylaminoethoxy)-3',4'-dihydroseselin hydrate

Structural Information

Molecular Formula
C20H27NO5
SMILES
CCN(CC)CCOC1=C2C(=CC3=C1C(C(CO3)(C)C)O)C=CC(=O)O2
InChI
InChI=1S/C20H27NO5/c1-5-21(6-2)9-10-24-18-16-14(25-12-20(3,4)19(16)23)11-13-7-8-15(22)26-17(13)18/h7-8,11,19,23H,5-6,9-10,12H2,1-4H3
InChIKey
ZGFPJAAOUGRHJG-UHFFFAOYSA-N
Compound name
5-[2-(diethylamino)ethoxy]-4-hydroxy-3,3-dimethyl-2,4-dihydropyrano[2,3-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.18893 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.19621 185.5
[M+Na]+ 384.17815 198.0
[M+NH4]+ 379.22275 193.8
[M+K]+ 400.15209 190.2
[M-H]- 360.18165 190.7
[M+Na-2H]- 382.16360 189.0
[M]+ 361.18838 189.0
[M]- 361.18948 189.0
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.