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]+ 361.128176 181.2
[M+Na]+ 383.110118 186.2
[M-H]- 359.113624 187.7
[M+NH4]+ 378.154723 189.9
[M+K]+ 399.084058 184.7
[M+H-H2O]+ 343.118160 172.5
[M+HCOO]- 405.119101 195.9
[M+CH3COO]- 419.134751 208.8
[M+Na-2H]- 381.095566 181.4
[M]+ 360.12035142 181.1
[M]- 360.12144858 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.