CID 44258210

Ciliatin b

Structural Information

Molecular Formula
C21H20O6
SMILES
CC1(CCC2=C(O1)C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)O)OC)C
InChI
InChI=1S/C21H20O6/c1-21(2)7-6-12-14(23)9-18-19(20(12)27-21)15(24)10-16(26-18)11-4-5-13(22)17(8-11)25-3/h4-5,8-10,22-23H,6-7H2,1-3H3
InChIKey
FZANCCSFDNGROR-UHFFFAOYSA-N
Compound name
5-hydroxy-8-(4-hydroxy-3-methoxyphenyl)-2,2-dimethyl-3,4-dihydropyrano[2,3-f]chromen-10-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.12598 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.13326 185.5
[M+Na]+ 391.11520 196.0
[M-H]- 367.11870 193.9
[M+NH4]+ 386.15980 198.3
[M+K]+ 407.08914 194.4
[M+H-H2O]+ 351.12324 176.9
[M+HCOO]- 413.12418 200.0
[M+CH3COO]- 427.13983 196.5
[M+Na-2H]- 389.10065 190.8
[M]+ 368.12543 190.3
[M]- 368.12653 190.3
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.