CID 798955

10-phenyl-1,2,3,4-tetrahydro-5h-benzo[c]furo[3,2-g]chromen-5-one

Structural Information

Molecular Formula
C21H16O3
SMILES
C1CCC2=C(C1)C3=C(C=C4C(=C3)C(=CO4)C5=CC=CC=C5)OC2=O
InChI
InChI=1S/C21H16O3/c22-21-15-9-5-4-8-14(15)16-10-17-18(13-6-2-1-3-7-13)12-23-19(17)11-20(16)24-21/h1-3,6-7,10-12H,4-5,8-9H2
InChIKey
PQMCOYZAEROLIX-UHFFFAOYSA-N
Compound name
10-phenyl-1,2,3,4-tetrahydro-[1]benzofuro[6,5-c]isochromen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

316.10995 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.11723 169.6
[M+Na]+ 339.09917 180.2
[M-H]- 315.10267 181.0
[M+NH4]+ 334.14377 186.2
[M+K]+ 355.07311 176.4
[M+H-H2O]+ 299.10721 161.8
[M+HCOO]- 361.10815 188.8
[M+CH3COO]- 375.12380 182.4
[M+Na-2H]- 337.08462 176.7
[M]+ 316.10940 172.7
[M]- 316.11050 172.7
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.