CID 3068322

83354-79-4

Structural Information

Molecular Formula
C19H20O6
SMILES
CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O
InChI
InChI=1S/C19H20O6/c1-11-2-4-12(5-3-11)16(21)13-6-8-14(9-7-13)25-19-18(23)17(22)15(20)10-24-19/h2-9,15,17-20,22-23H,10H2,1H3/t15-,17+,18-,19+/m1/s1
InChIKey
DRQYAGYFRQBGMO-LULLPPNCSA-N
Compound name
(4-methylphenyl)-[4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyphenyl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.12598 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.13326 179.7
[M+Na]+ 367.11520 192.1
[M+NH4]+ 362.15980 185.4
[M+K]+ 383.08914 187.5
[M-H]- 343.11870 184.6
[M+Na-2H]- 365.10065 185.0
[M]+ 344.12543 182.6
[M]- 344.12653 182.6
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.