CID 15956738

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

Structural Information

Molecular Formula
C23H22O5
SMILES
C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C3=CC=CC=C3)O)O)O[C@@H](O1)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C23H22O5/c24-19-20(25)22-18(27-21(19)15-8-2-1-3-9-15)13-26-23(28-22)17-12-6-10-14-7-4-5-11-16(14)17/h1-12,18-25H,13H2/t18-,19-,20-,21+,22-,23-/m1/s1
InChIKey
VJOAGXFCVHNIPL-FHJOOOADSA-N
Compound name
(2R,4aR,6S,7R,8R,8aS)-2-naphthalen-1-yl-6-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxine-7,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.14673 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.15401 188.7
[M+Na]+ 401.13595 194.0
[M-H]- 377.13945 198.6
[M+NH4]+ 396.18055 196.4
[M+K]+ 417.10989 192.3
[M+H-H2O]+ 361.14399 178.7
[M+HCOO]- 423.14493 198.4
[M+CH3COO]- 437.16058 197.2
[M+Na-2H]- 399.12140 192.6
[M]+ 378.14618 185.8
[M]- 378.14728 185.8
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.