CID 6476707

5-[(e)-3-(2,5-dimethoxyphenyl)prop-1-enyl]benzene-1,2,3-triol

Structural Information

Molecular Formula
C17H18O5
SMILES
COC1=CC(=C(C=C1)OC)C/C=C/C2=CC(=C(C(=C2)O)O)O
InChI
InChI=1S/C17H18O5/c1-21-13-6-7-16(22-2)12(10-13)5-3-4-11-8-14(18)17(20)15(19)9-11/h3-4,6-10,18-20H,5H2,1-2H3/b4-3+
InChIKey
UGPBIXLMSORMKT-ONEGZZNKSA-N
Compound name
5-[(E)-3-(2,5-dimethoxyphenyl)prop-1-enyl]benzene-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.11542 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.122696 168.4
[M+Na]+ 325.104638 176.8
[M-H]- 301.108144 172.0
[M+NH4]+ 320.149243 182.0
[M+K]+ 341.078578 172.4
[M+H-H2O]+ 285.112680 161.3
[M+HCOO]- 347.113621 188.4
[M+CH3COO]- 361.129271 198.8
[M+Na-2H]- 323.090086 170.0
[M]+ 302.11487142 171.4
[M]- 302.11596858 171.4
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.