CID 707763

9-(4-methylphenyl)-2,3-dihydrocyclopenta[c]furo[3,2-g]chromen-4(1h)-one

Structural Information

Molecular Formula
C21H16O3
SMILES
CC1=CC=C(C=C1)C2=COC3=CC4=C(C=C32)C5=C(CCC5)C(=O)O4
InChI
InChI=1S/C21H16O3/c1-12-5-7-13(8-6-12)18-11-23-19-10-20-16(9-17(18)19)14-3-2-4-15(14)21(22)24-20/h5-11H,2-4H2,1H3
InChIKey
QFCHMLTUURCHOZ-UHFFFAOYSA-N
Compound name
14-(4-methylphenyl)-8,12-dioxatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2(6),10,13,15-pentaen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

316.10995 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.11723 170.8
[M+Na]+ 339.09917 183.1
[M-H]- 315.10267 183.2
[M+NH4]+ 334.14377 189.8
[M+K]+ 355.07311 179.4
[M+H-H2O]+ 299.10721 165.2
[M+HCOO]- 361.10815 192.3
[M+CH3COO]- 375.12380 184.8
[M+Na-2H]- 337.08462 175.2
[M]+ 316.10940 176.8
[M]- 316.11050 176.8
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.