CID 6476708

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

Structural Information

Molecular Formula
C17H18O5
SMILES
COC1=CC(=CC(=C1)C/C=C/C2=CC(=C(C(=C2)O)O)O)OC
InChI
InChI=1S/C17H18O5/c1-21-13-6-11(7-14(10-13)22-2)4-3-5-12-8-15(18)17(20)16(19)9-12/h3,5-10,18-20H,4H2,1-2H3/b5-3+
InChIKey
RIRJPOGWSRKVTL-HWKANZROSA-N
Compound name
5-[(E)-3-(3,5-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]+ 303.12270 168.4
[M+Na]+ 325.10464 176.8
[M-H]- 301.10814 172.0
[M+NH4]+ 320.14924 182.0
[M+K]+ 341.07858 172.4
[M+H-H2O]+ 285.11268 161.3
[M+HCOO]- 347.11362 188.4
[M+CH3COO]- 361.12927 198.8
[M+Na-2H]- 323.09009 170.0
[M]+ 302.11487 171.4
[M]- 302.11597 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.