CID 2802240

Sanaganone

Structural Information

Molecular Formula
C22H16O4
SMILES
CC1(C=CC2=C3C(=O)C=C(OC3=C4C=COC4=C2O1)C5=CC=CC=C5)C
InChI
InChI=1S/C22H16O4/c1-22(2)10-8-14-18-16(23)12-17(13-6-4-3-5-7-13)25-19(18)15-9-11-24-20(15)21(14)26-22/h3-12H,1-2H3
InChIKey
FVPDHIHSSUEMOI-UHFFFAOYSA-N
Compound name
16,16-dimethyl-9-phenyl-3,8,17-trioxatetracyclo[11.4.0.02,6.07,12]heptadeca-1,4,6,9,12,14-hexaen-11-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

22
Patents

344.10486 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.11214 179.1
[M+Na]+ 367.09408 192.3
[M-H]- 343.09758 192.1
[M+NH4]+ 362.13868 195.5
[M+K]+ 383.06802 190.3
[M+H-H2O]+ 327.10212 171.1
[M+HCOO]- 389.10306 198.4
[M+CH3COO]- 403.11871 192.6
[M+Na-2H]- 365.07953 187.2
[M]+ 344.10431 186.7
[M]- 344.10541 186.7
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