CID 131751619

1-methoxy-3-(4-hydroxyphenyl)-2e-propenal 4'-glucoside

Structural Information

Molecular Formula
C16H22O7
SMILES
COC/C=C/C1=CC=C(C=C1)OC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C16H22O7/c1-21-8-2-3-10-4-6-11(7-5-10)22-16-15(20)14(19)13(18)12(9-17)23-16/h2-7,12-20H,8-9H2,1H3/b3-2+
InChIKey
NZZJDBVBBHYGQX-NSCUHMNNSA-N
Compound name
2-(hydroxymethyl)-6-[4-[(E)-3-methoxyprop-1-enyl]phenoxy]oxane-3,4,5-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.13657 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.14385 175.1
[M+Na]+ 349.12579 184.4
[M+NH4]+ 344.17039 179.3
[M+K]+ 365.09973 181.1
[M-H]- 325.12929 176.2
[M+Na-2H]- 347.11124 176.2
[M]+ 326.13602 176.3
[M]- 326.13712 176.3
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

No patent data available for this compound.