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]+ 335.12778 176.7
[M+Na]+ 357.10972 185.4
[M-H]- 333.11322 186.2
[M+NH4]+ 352.15432 192.8
[M+K]+ 373.08366 181.8
[M+H-H2O]+ 317.11776 169.1
[M+HCOO]- 379.11870 196.6
[M+CH3COO]- 393.13435 188.7
[M+Na-2H]- 355.09517 179.9
[M]+ 334.11995 180.7
[M]- 334.12105 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.