CID 189670

Loureirin b

Structural Information

Molecular Formula
C18H20O5
SMILES
COC1=CC(=C(C(=C1)OC)CCC(=O)C2=CC=C(C=C2)O)OC
InChI
InChI=1S/C18H20O5/c1-21-14-10-17(22-2)15(18(11-14)23-3)8-9-16(20)12-4-6-13(19)7-5-12/h4-7,10-11,19H,8-9H2,1-3H3
InChIKey
ZPFRAPVRYLGYEC-UHFFFAOYSA-N
Compound name
1-(4-hydroxyphenyl)-3-(2,4,6-trimethoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

34
References

74
Patents

316.13107 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13835 172.1
[M+Na]+ 339.12029 179.6
[M-H]- 315.12379 177.9
[M+NH4]+ 334.16489 186.1
[M+K]+ 355.09423 177.2
[M+H-H2O]+ 299.12833 164.1
[M+HCOO]- 361.12927 193.7
[M+CH3COO]- 375.14492 206.6
[M+Na-2H]- 337.10574 173.6
[M]+ 316.13052 178.1
[M]- 316.13162 178.1
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