CID 156777

Cyclokievitone

Structural Information

Molecular Formula
C20H18O6
SMILES
CC1(C=CC2=C(O1)C=C(C3=C2OCC(C3=O)C4=C(C=C(C=C4)O)O)O)C
InChI
InChI=1S/C20H18O6/c1-20(2)6-5-12-16(26-20)8-15(23)17-18(24)13(9-25-19(12)17)11-4-3-10(21)7-14(11)22/h3-8,13,21-23H,9H2,1-2H3
InChIKey
AWLFGFDTGPLHKG-UHFFFAOYSA-N
Compound name
3-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

18
Patents

354.11035 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.11763 181.7
[M+Na]+ 377.09957 191.3
[M-H]- 353.10307 188.6
[M+NH4]+ 372.14417 194.4
[M+K]+ 393.07351 189.2
[M+H-H2O]+ 337.10761 173.9
[M+HCOO]- 399.10855 193.7
[M+CH3COO]- 413.12420 192.1
[M+Na-2H]- 375.08502 186.4
[M]+ 354.10980 183.3
[M]- 354.11090 183.3
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