CID 16007283

Chembl394396

Structural Information

Molecular Formula
C17H16O2
SMILES
CC1(CCC2=C(O1)C=CC3=C2C4=CC=CC=C4O3)C
InChI
InChI=1S/C17H16O2/c1-17(2)10-9-12-14(19-17)7-8-15-16(12)11-5-3-4-6-13(11)18-15/h3-8H,9-10H2,1-2H3
InChIKey
HUHOTPIDORCCCA-UHFFFAOYSA-N
Compound name
3,3-dimethyl-1,2-dihydro-[1]benzofuro[3,2-f]chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

2
Patents

252.11504 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12232 154.6
[M+Na]+ 275.10426 165.8
[M-H]- 251.10776 163.0
[M+NH4]+ 270.14886 176.4
[M+K]+ 291.07820 163.1
[M+H-H2O]+ 235.11230 148.3
[M+HCOO]- 297.11324 173.7
[M+CH3COO]- 311.12889 168.6
[M+Na-2H]- 273.08971 163.6
[M]+ 252.11449 158.3
[M]- 252.11559 158.3
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