CID 2887849

6-methyl-7-(2-oxo-2-phenylethoxy)-2,3-dihydrocyclopenta[c]chromen-4(1h)-one

Structural Information

Molecular Formula
C21H18O4
SMILES
CC1=C(C=CC2=C1OC(=O)C3=C2CCC3)OCC(=O)C4=CC=CC=C4
InChI
InChI=1S/C21H18O4/c1-13-19(24-12-18(22)14-6-3-2-4-7-14)11-10-16-15-8-5-9-17(15)21(23)25-20(13)16/h2-4,6-7,10-11H,5,8-9,12H2,1H3
InChIKey
PEIVIIUMWUHVOP-UHFFFAOYSA-N
Compound name
6-methyl-7-phenacyloxy-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1205 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.127776 176.7
[M+Na]+ 357.109718 185.4
[M-H]- 333.113224 186.2
[M+NH4]+ 352.154323 192.8
[M+K]+ 373.083658 181.8
[M+H-H2O]+ 317.117760 169.1
[M+HCOO]- 379.118701 196.6
[M+CH3COO]- 393.134351 188.7
[M+Na-2H]- 355.095166 179.9
[M]+ 334.11995142 180.7
[M]- 334.12104858 180.7
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.