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]+ 323.12778 172.7
[M+Na]+ 345.10972 182.0
[M-H]- 321.11322 182.4
[M+NH4]+ 340.15432 189.5
[M+K]+ 361.08366 178.6
[M+H-H2O]+ 305.11776 165.0
[M+HCOO]- 367.11870 193.8
[M+CH3COO]- 381.13435 185.2
[M+Na-2H]- 343.09517 177.6
[M]+ 322.11995 177.7
[M]- 322.12105 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.