CID 176471

Laxifloran

Structural Information

Molecular Formula
C17H18O5
SMILES
COC1=C(C=CC(=C1OC)O)C2CC3=C(C=C(C=C3)O)OC2
InChI
InChI=1S/C17H18O5/c1-20-16-13(5-6-14(19)17(16)21-2)11-7-10-3-4-12(18)8-15(10)22-9-11/h3-6,8,11,18-19H,7,9H2,1-2H3
InChIKey
HHNUTZFOMIAQMX-UHFFFAOYSA-N
Compound name
3-(4-hydroxy-2,3-dimethoxyphenyl)-3,4-dihydro-2H-chromen-7-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

110
Patents

302.11542 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12270 167.9
[M+Na]+ 325.10464 182.2
[M+NH4]+ 320.14924 175.6
[M+K]+ 341.07858 176.1
[M-H]- 301.10814 172.9
[M+Na-2H]- 323.09009 173.5
[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

patents stripe