CID 163184034

Musaxanthone

Structural Information

Molecular Formula
C20H16O6
SMILES
CC1(C=CC2=C3C(=C(C=C2O1)OC)C(=O)C4=C(O3)C5=C(C=C4)OCO5)C
InChI
InChI=1S/C20H16O6/c1-20(2)7-6-10-13(26-20)8-14(22-3)15-16(21)11-4-5-12-19(24-9-23-12)18(11)25-17(10)15/h4-8H,9H2,1-3H3
InChIKey
XJDOIKPHNRWCPV-UHFFFAOYSA-N
Compound name
14-methoxy-18,18-dimethyl-2,5,7,17-tetraoxapentacyclo[11.8.0.03,11.04,8.016,21]henicosa-1(21),3(11),4(8),9,13,15,19-heptaen-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.0947 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.10198 177.4
[M+Na]+ 375.08392 190.9
[M-H]- 351.08742 188.8
[M+NH4]+ 370.12852 193.4
[M+K]+ 391.05786 191.5
[M+H-H2O]+ 335.09196 170.4
[M+HCOO]- 397.09290 193.4
[M+CH3COO]- 411.10855 190.8
[M+Na-2H]- 373.06937 186.4
[M]+ 352.09415 188.1
[M]- 352.09525 188.1
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.