CID 86178905

3h-4,11b-ethanophenanthro[3,4-c]furan

Structural Information

Molecular Formula
C18H14O
SMILES
C1CC23C(=CC1=C4C2=COC4)C=CC5=CC=CC=C35
InChI
InChI=1S/C18H14O/c1-2-4-16-12(3-1)5-6-14-9-13-7-8-18(14,16)17-11-19-10-15(13)17/h1-6,9,11H,7-8,10H2
InChIKey
BEYWOZAROOHKEC-UHFFFAOYSA-N
Compound name
15-oxapentacyclo[10.5.2.01,10.02,7.013,17]nonadeca-2,4,6,8,10,12,16-heptaene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

246.10446 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.11174 151.1
[M+Na]+ 269.09368 166.9
[M+NH4]+ 264.13828 166.1
[M+K]+ 285.06762 156.8
[M-H]- 245.09718 156.3
[M+Na-2H]- 267.07913 155.3
[M]+ 246.10391 155.5
[M]- 246.10501 155.5
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.