CID 3068331

Methanone, (2-methylphenyl)(5-methyl-2-(beta-d-xylopyranosyloxy)phenyl)-

Structural Information

Molecular Formula
C20H22O6
SMILES
CC1=CC(=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H](CO2)O)O)O)C(=O)C3=CC=CC=C3C
InChI
InChI=1S/C20H22O6/c1-11-7-8-16(26-20-19(24)18(23)15(21)10-25-20)14(9-11)17(22)13-6-4-3-5-12(13)2/h3-9,15,18-21,23-24H,10H2,1-2H3/t15-,18+,19-,20+/m1/s1
InChIKey
DIJILNYBBGBSNM-NMLACTOBSA-N
Compound name
(2-methylphenyl)-[5-methyl-2-[(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

358.14163 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.148906 183.5
[M+Na]+ 381.130848 189.2
[M-H]- 357.134354 190.2
[M+NH4]+ 376.175453 192.7
[M+K]+ 397.104788 186.8
[M+H-H2O]+ 341.138890 175.1
[M+HCOO]- 403.139831 197.6
[M+CH3COO]- 417.155481 210.7
[M+Na-2H]- 379.116296 182.2
[M]+ 358.14108142 182.7
[M]- 358.14217858 182.7
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.