CID 3068323

Methanone, (4-methoxyphenyl)(4-(beta-d-xylopyranosyloxy)phenyl)-

Structural Information

Molecular Formula
C19H20O7
SMILES
COC1=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/C19H20O7/c1-24-13-6-2-11(3-7-13)16(21)12-4-8-14(9-5-12)26-19-18(23)17(22)15(20)10-25-19/h2-9,15,17-20,22-23H,10H2,1H3/t15-,17+,18-,19+/m1/s1
InChIKey
CUKBMNYURUPQJS-LULLPPNCSA-N
Compound name
(4-methoxyphenyl)-[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

360.1209 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.12818 181.2
[M+Na]+ 383.11012 186.2
[M-H]- 359.11362 187.7
[M+NH4]+ 378.15472 189.9
[M+K]+ 399.08406 184.7
[M+H-H2O]+ 343.11816 172.5
[M+HCOO]- 405.11910 195.9
[M+CH3COO]- 419.13475 208.8
[M+Na-2H]- 381.09557 181.4
[M]+ 360.12035 181.1
[M]- 360.12145 181.1
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.