CID 5319081

Loureirin a

Structural Information

Molecular Formula
C17H18O4
SMILES
COC1=CC(=C(C=C1)CCC(=O)C2=CC=C(C=C2)O)OC
InChI
InChI=1S/C17H18O4/c1-20-15-9-5-13(17(11-15)21-2)6-10-16(19)12-3-7-14(18)8-4-12/h3-5,7-9,11,18H,6,10H2,1-2H3
InChIKey
RSAIVLRELNGZEY-UHFFFAOYSA-N
Compound name
3-(2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

89
Patents

286.1205 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12778 165.1
[M+Na]+ 309.10972 172.4
[M-H]- 285.11322 170.7
[M+NH4]+ 304.15432 180.1
[M+K]+ 325.08366 169.3
[M+H-H2O]+ 269.11776 157.4
[M+HCOO]- 331.11870 186.9
[M+CH3COO]- 345.13435 200.2
[M+Na-2H]- 307.09517 167.8
[M]+ 286.11995 168.9
[M]- 286.12105 168.9
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