CID 6478778

Mangostinone

Structural Information

Molecular Formula
C23H24O5
SMILES
CC(=CCC/C(=C/CC1=C(C2=C(C=C1O)OC3=C(C2=O)C=CC=C3O)O)/C)C
InChI
InChI=1S/C23H24O5/c1-13(2)6-4-7-14(3)10-11-15-18(25)12-19-20(21(15)26)22(27)16-8-5-9-17(24)23(16)28-19/h5-6,8-10,12,24-26H,4,7,11H2,1-3H3/b14-10+
InChIKey
RJLWIAOXQDZMTB-GXDHUFHOSA-N
Compound name
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,5-trihydroxyxanthen-9-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

40
Patents

380.16238 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.169656 191.5
[M+Na]+ 403.151598 200.4
[M-H]- 379.155104 194.3
[M+NH4]+ 398.196203 202.8
[M+K]+ 419.125538 195.3
[M+H-H2O]+ 363.159640 184.2
[M+HCOO]- 425.160581 206.0
[M+CH3COO]- 439.176231 217.8
[M+Na-2H]- 401.137046 192.4
[M]+ 380.16183142 196.4
[M]- 380.16292858 196.4
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