CID 42607663

Tepanone

Structural Information

Molecular Formula
C18H18O5
SMILES
COC1=CC(=C(C(=C1/C=C/C(=O)C2=CC=CC=C2)O)OC)OC
InChI
InChI=1S/C18H18O5/c1-21-15-11-16(22-2)18(23-3)17(20)13(15)9-10-14(19)12-7-5-4-6-8-12/h4-11,20H,1-3H3/b10-9+
InChIKey
MNAQIJCVPFKJAU-MDZDMXLPSA-N
Compound name
(E)-3-(2-hydroxy-3,4,6-trimethoxyphenyl)-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

314.11542 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12270 170.9
[M+Na]+ 337.10464 178.9
[M-H]- 313.10814 176.8
[M+NH4]+ 332.14924 185.0
[M+K]+ 353.07858 175.8
[M+H-H2O]+ 297.11268 163.0
[M+HCOO]- 359.11362 192.8
[M+CH3COO]- 373.12927 205.2
[M+Na-2H]- 335.09009 172.5
[M]+ 314.11487 176.2
[M]- 314.11597 176.2
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