CID 741840

324055-70-1

Structural Information

Molecular Formula
C20H18O4
SMILES
COC1=CC=C(C=C1)COC2=CC3=C(C=C2)C4=C(CCC4)C(=O)O3
InChI
InChI=1S/C20H18O4/c1-22-14-7-5-13(6-8-14)12-23-15-9-10-17-16-3-2-4-18(16)20(21)24-19(17)11-15/h5-11H,2-4,12H2,1H3
InChIKey
RABIQKHZRFLLCK-UHFFFAOYSA-N
Compound name
7-[(4-methoxyphenyl)methoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

322.1205 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.127776 172.7
[M+Na]+ 345.109718 182.0
[M-H]- 321.113224 182.4
[M+NH4]+ 340.154323 189.5
[M+K]+ 361.083658 178.6
[M+H-H2O]+ 305.117760 165.0
[M+HCOO]- 367.118701 193.8
[M+CH3COO]- 381.134351 185.2
[M+Na-2H]- 343.095166 177.6
[M]+ 322.11995142 177.7
[M]- 322.12104858 177.7
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.