CID 68058

Helianthrone

Structural Information

Molecular Formula
C28H14O2
SMILES
C1=CC=C2C(=C1)C3=C4C(=C5C=CC=C6C5=C3C7=CC=CC=C7C6=O)C=CC=C4C2=O
InChI
InChI=1S/C28H14O2/c29-27-19-9-3-1-7-17(19)25-23-15(11-5-13-21(23)27)16-12-6-14-22-24(16)26(25)18-8-2-4-10-20(18)28(22)30/h1-14H
InChIKey
CJADAVIATOALFB-UHFFFAOYSA-N
Compound name
heptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1(27),2(28),3,5,7,10,12,14,16,18,21,23,25-tridecaene-9,20-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

382.09937 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.10665 190.6
[M+Na]+ 405.08859 215.1
[M+NH4]+ 400.13319 203.3
[M+K]+ 421.06253 200.7
[M-H]- 381.09209 199.0
[M+Na-2H]- 403.07404 199.9
[M]+ 382.09882 197.5
[M]- 382.09992 197.5
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