CID 131752960

Methyl (z)-3-[3-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate

Structural Information

Molecular Formula
C17H22O9
SMILES
COC1=CC(=CC(=C1)/C=C\C(=O)OC)OC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C17H22O9/c1-23-10-5-9(3-4-13(19)24-2)6-11(7-10)25-17-16(22)15(21)14(20)12(8-18)26-17/h3-7,12,14-18,20-22H,8H2,1-2H3/b4-3-
InChIKey
USFDIQKRDRIDPN-ARJAWSKDSA-N
Compound name
methyl (Z)-3-[3-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

370.12637 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.13365 183.4
[M+Na]+ 393.11559 191.6
[M+NH4]+ 388.16019 185.8
[M+K]+ 409.08953 190.2
[M-H]- 369.11909 183.1
[M+Na-2H]- 391.10104 182.8
[M]+ 370.12582 183.9
[M]- 370.12692 183.9
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.