CID 854116

7-methyl-9-((4-vinylbenzyl)oxy)-2,3-dihydrocyclopenta(c)chromen-4(1h)-one

Structural Information

Molecular Formula
C22H20O3
SMILES
CC1=CC2=C(C3=C(CCC3)C(=O)O2)C(=C1)OCC4=CC=C(C=C4)C=C
InChI
InChI=1S/C22H20O3/c1-3-15-7-9-16(10-8-15)13-24-19-11-14(2)12-20-21(19)17-5-4-6-18(17)22(23)25-20/h3,7-12H,1,4-6,13H2,2H3
InChIKey
YHROTRNOIVWLAG-UHFFFAOYSA-N
Compound name
9-[(4-ethenylphenyl)methoxy]-7-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.14124 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.14852 178.4
[M+Na]+ 355.13046 188.2
[M-H]- 331.13396 188.1
[M+NH4]+ 350.17506 195.1
[M+K]+ 371.10440 183.1
[M+H-H2O]+ 315.13850 170.8
[M+HCOO]- 377.13944 198.8
[M+CH3COO]- 391.15509 190.6
[M+Na-2H]- 353.11591 181.4
[M]+ 332.14069 182.3
[M]- 332.14179 182.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.