CID 179533

Dihydropashanone

Structural Information

Molecular Formula
C17H18O5
SMILES
COC1=C(C(=C(C(=C1)O)C(=O)CCC2=CC=CC=C2)O)OC
InChI
InChI=1S/C17H18O5/c1-21-14-10-13(19)15(16(20)17(14)22-2)12(18)9-8-11-6-4-3-5-7-11/h3-7,10,19-20H,8-9H2,1-2H3
InChIKey
JIPRVIMCAIKNJN-UHFFFAOYSA-N
Compound name
1-(2,6-dihydroxy-3,4-dimethoxyphenyl)-3-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

302.11542 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12270 167.9
[M+Na]+ 325.10464 175.5
[M-H]- 301.10814 172.5
[M+NH4]+ 320.14924 181.8
[M+K]+ 341.07858 172.4
[M+H-H2O]+ 285.11268 160.4
[M+HCOO]- 347.11362 188.4
[M+CH3COO]- 361.12927 201.3
[M+Na-2H]- 323.09009 169.5
[M]+ 302.11487 171.8
[M]- 302.11597 171.8
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