CID 15956740

7,8-dimethoxy-2-naphthalen-1-yl-6-phenyl-hexahydro-pyrano[3,2-d][1,3]dioxine

Structural Information

Molecular Formula
C25H26O5
SMILES
CO[C@H]1[C@H]2[C@@H](CO[C@H](O2)C3=CC=CC4=CC=CC=C43)O[C@H]([C@@H]1OC)C5=CC=CC=C5
InChI
InChI=1S/C25H26O5/c1-26-23-21(17-10-4-3-5-11-17)29-20-15-28-25(30-22(20)24(23)27-2)19-14-8-12-16-9-6-7-13-18(16)19/h3-14,20-25H,15H2,1-2H3/t20-,21+,22-,23+,24+,25-/m1/s1
InChIKey
IFOLINQLTNRZMD-PROFCWERSA-N
Compound name
(2R,4aR,6S,7S,8R,8aR)-7,8-dimethoxy-2-naphthalen-1-yl-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

406.178 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.18528 198.5
[M+Na]+ 429.16722 203.5
[M-H]- 405.17072 210.4
[M+NH4]+ 424.21182 206.2
[M+K]+ 445.14116 203.0
[M+H-H2O]+ 389.17526 187.2
[M+HCOO]- 451.17620 210.2
[M+CH3COO]- 465.19185 207.1
[M+Na-2H]- 427.15267 201.7
[M]+ 406.17745 199.2
[M]- 406.17855 199.2
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.