CID 854728

9,10,11,12-tetrahydro-5h-benzo[c][1]benzofuro[3,2-g]chromen-5-one

Structural Information

Molecular Formula
C19H14O3
SMILES
C1CCC2=C(C1)C3=C(O2)C=C4C(=C3)C5=CC=CC=C5C(=O)O4
InChI
InChI=1S/C19H14O3/c20-19-13-7-2-1-5-11(13)14-9-15-12-6-3-4-8-16(12)21-17(15)10-18(14)22-19/h1-2,5,7,9-10H,3-4,6,8H2
InChIKey
BNSMRCMOJBAPPK-UHFFFAOYSA-N
Compound name
10,14-dioxapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),12,16,18,20-heptaen-15-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.0943 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.101576 159.8
[M+Na]+ 313.083518 172.2
[M-H]- 289.087024 169.5
[M+NH4]+ 308.128123 178.9
[M+K]+ 329.057458 168.5
[M+H-H2O]+ 273.091560 152.8
[M+HCOO]- 335.092501 179.5
[M+CH3COO]- 349.108151 173.7
[M+Na-2H]- 311.068966 169.5
[M]+ 290.09375142 165.0
[M]- 290.09484858 165.0
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.