CID 14492422

Morusignin b

Structural Information

Molecular Formula
C18H16O6
SMILES
CC(=CCC1=C(C2=C(C=C1O)OC3=C(C=CC(=C3C2=O)O)O)O)C
InChI
InChI=1S/C18H16O6/c1-8(2)3-4-9-12(21)7-13-15(16(9)22)17(23)14-10(19)5-6-11(20)18(14)24-13/h3,5-7,19-22H,4H2,1-2H3
InChIKey
AQSBDDHXYVQYHC-UHFFFAOYSA-N
Compound name
1,3,5,8-tetrahydroxy-2-(3-methylbut-2-enyl)xanthen-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

328.0947 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10198 172.7
[M+Na]+ 351.08392 184.0
[M-H]- 327.08742 175.4
[M+NH4]+ 346.12852 185.8
[M+K]+ 367.05786 180.1
[M+H-H2O]+ 311.09196 166.3
[M+HCOO]- 373.09290 188.4
[M+CH3COO]- 387.10855 205.1
[M+Na-2H]- 349.06937 176.5
[M]+ 328.09415 177.5
[M]- 328.09525 177.5
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