CID 15954248

(3as,12bs)-4,4-dimethyl-3a,12b-dihydro-4h-[1]benzofuro[3,2-g][1,3]dioxolo[4,5-c]chromen-2-one

Structural Information

Molecular Formula
C18H14O5
SMILES
CC1([C@@H]2[C@H](C3=C(O1)C=C4C(=C3)C5=CC=CC=C5O4)OC(=O)O2)C
InChI
InChI=1S/C18H14O5/c1-18(2)16-15(21-17(19)22-16)11-7-10-9-5-3-4-6-12(9)20-13(10)8-14(11)23-18/h3-8,15-16H,1-2H3/t15-,16-/m0/s1
InChIKey
PHEXNVQGSLXQBI-HOTGVXAUSA-N
Compound name
(4S,8S)-9,9-dimethyl-5,7,10,14-tetraoxapentacyclo[11.7.0.03,11.04,8.015,20]icosa-1,3(11),12,15,17,19-hexaen-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.08414 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09142 164.9
[M+Na]+ 333.07336 177.6
[M-H]- 309.07686 176.0
[M+NH4]+ 328.11796 184.3
[M+K]+ 349.04730 177.5
[M+H-H2O]+ 293.08140 161.0
[M+HCOO]- 355.08234 181.0
[M+CH3COO]- 369.09799 179.0
[M+Na-2H]- 331.05881 171.9
[M]+ 310.08359 172.7
[M]- 310.08469 172.7
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

No patent data available for this compound.