CID 392169

Thwaitesixanthone

Structural Information

Molecular Formula
C23H20O5
SMILES
CC1(C=CC2=C(O1)C=CC3=C2C(=O)C4=C(C5=C(C=C4O3)OC(C=C5)(C)C)O)C
InChI
InChI=1S/C23H20O5/c1-22(2)9-7-12-14(27-22)5-6-15-18(12)21(25)19-17(26-15)11-16-13(20(19)24)8-10-23(3,4)28-16/h5-11,24H,1-4H3
InChIKey
CGUOCNBOCVGVNB-UHFFFAOYSA-N
Compound name
22-hydroxy-7,7,18,18-tetramethyl-8,13,17-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4(9),5,10,14,16(21),19-octaen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

376.13107 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.13835 188.2
[M+Na]+ 399.12029 201.9
[M-H]- 375.12379 197.6
[M+NH4]+ 394.16489 204.2
[M+K]+ 415.09423 200.4
[M+H-H2O]+ 359.12833 178.0
[M+HCOO]- 421.12927 201.3
[M+CH3COO]- 435.14492 200.1
[M+Na-2H]- 397.10574 197.8
[M]+ 376.13052 196.0
[M]- 376.13162 196.0
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