CID 4452532

6,7-dihydrocyclopenta(1,2-b:1,5-b')bis(1)benzopyran

Structural Information

Molecular Formula
C19H14O2
SMILES
C1CC2=CC3=CC=CC=C3OC24C1=CC5=CC=CC=C5O4
InChI
InChI=1S/C19H14O2/c1-3-7-17-13(5-1)11-15-9-10-16-12-14-6-2-4-8-18(14)21-19(15,16)20-17/h1-8,11-12H,9-10H2
InChIKey
BIBFEGRUDMSHOH-UHFFFAOYSA-N
Compound name
2,21-dioxapentacyclo[11.8.0.01,10.03,8.015,20]henicosa-3,5,7,9,13,15,17,19-octaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.09937 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10665 158.8
[M+Na]+ 297.08859 168.1
[M-H]- 273.09209 167.8
[M+NH4]+ 292.13319 179.4
[M+K]+ 313.06253 164.6
[M+H-H2O]+ 257.09663 150.8
[M+HCOO]- 319.09757 175.6
[M+CH3COO]- 333.11322 171.4
[M+Na-2H]- 295.07404 168.1
[M]+ 274.09882 159.6
[M]- 274.09992 159.6
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.