CID 3068330

83355-11-7

Structural Information

Molecular Formula
C19H20O6
SMILES
CC1=CC=CC=C1C(=O)C2=CC(=CC=C2)O[C@H]3[C@@H]([C@H]([C@@H](CO3)O)O)O
InChI
InChI=1S/C19H20O6/c1-11-5-2-3-8-14(11)16(21)12-6-4-7-13(9-12)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
SKWJHBYCOGJZPJ-LULLPPNCSA-N
Compound name
(2-methylphenyl)-[3-[(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 178.9
[M+Na]+ 367.11520 184.1
[M-H]- 343.11870 185.4
[M+NH4]+ 362.15980 188.4
[M+K]+ 383.08914 181.8
[M+H-H2O]+ 327.12324 170.4
[M+HCOO]- 389.12418 193.4
[M+CH3COO]- 403.13983 206.4
[M+Na-2H]- 365.10065 178.8
[M]+ 344.12543 177.3
[M]- 344.12653 177.3
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.