CID 14284969

2-o-methylangolensin

Structural Information

Molecular Formula
C17H18O4
SMILES
CC(C1=CC=C(C=C1)OC)C(=O)C2=C(C=C(C=C2)O)OC
InChI
InChI=1S/C17H18O4/c1-11(12-4-7-14(20-2)8-5-12)17(19)15-9-6-13(18)10-16(15)21-3/h4-11,18H,1-3H3
InChIKey
JUUSJQJENSMLRE-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-2-methoxyphenyl)-2-(4-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1205 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12778 164.8
[M+Na]+ 309.10972 171.8
[M-H]- 285.11322 170.5
[M+NH4]+ 304.15432 179.8
[M+K]+ 325.08366 169.4
[M+H-H2O]+ 269.11776 157.3
[M+HCOO]- 331.11870 185.7
[M+CH3COO]- 345.13435 201.1
[M+Na-2H]- 307.09517 166.3
[M]+ 286.11995 168.1
[M]- 286.12105 168.1
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

No patent data available for this compound.