CID 13968148

.beta.-d-glucopyranoside, 2-propenyl 2-(acetylamino)-2-deoxy-4,6-o-(phenylmethylene)-

Structural Information

Molecular Formula
C18H23NO6
SMILES
CC(=O)NC1C(C2C(COC(O2)C3=CC=CC=C3)OC1OCC=C)O
InChI
InChI=1S/C18H23NO6/c1-3-9-22-18-14(19-11(2)20)15(21)16-13(24-18)10-23-17(25-16)12-7-5-4-6-8-12/h3-8,13-18,21H,1,9-10H2,2H3,(H,19,20)
InChIKey
RZNDVHTWHYQMRO-UHFFFAOYSA-N
Compound name
N-(8-hydroxy-2-phenyl-6-prop-2-enoxy-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

349.15253 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.159806 183.5
[M+Na]+ 372.141748 187.1
[M-H]- 348.145254 190.5
[M+NH4]+ 367.186353 192.2
[M+K]+ 388.115688 187.7
[M+H-H2O]+ 332.149790 175.1
[M+HCOO]- 394.150731 196.1
[M+CH3COO]- 408.166381 213.9
[M+Na-2H]- 370.127196 186.1
[M]+ 349.15198142 183.2
[M]- 349.15307858 183.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe