CID 86688375

3-acetyl-10,11-dihydro-5h-dibenzo[c,g]chromen-8(9h)-one

Structural Information

Molecular Formula
C19H16O3
SMILES
CC(=O)C1=CC2=C(C=C1)C3=C(C=C4C(=C3)CCCC4=O)OC2
InChI
InChI=1S/C19H16O3/c1-11(20)12-5-6-15-14(7-12)10-22-19-9-16-13(8-17(15)19)3-2-4-18(16)21/h5-9H,2-4,10H2,1H3
InChIKey
HEDVCJIUEKLCCV-UHFFFAOYSA-N
Compound name
3-acetyl-5,9,10,11-tetrahydronaphtho[7,6-c]isochromen-8-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

132
Patents

292.10995 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.11723 163.7
[M+Na]+ 315.09917 171.4
[M-H]- 291.10267 170.2
[M+NH4]+ 310.14377 180.7
[M+K]+ 331.07311 167.8
[M+H-H2O]+ 275.10721 155.8
[M+HCOO]- 337.10815 178.7
[M+CH3COO]- 351.12380 175.0
[M+Na-2H]- 313.08462 169.6
[M]+ 292.10940 163.1
[M]- 292.11050 163.1
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

patents stripe