CID 431252

Griffonin

Structural Information

Molecular Formula
C14H19NO8
SMILES
C1=CC(=CC#N)C(C(C1O)O)OC2C(C(C(C(O2)CO)O)O)O
InChI
InChI=1S/C14H19NO8/c15-4-3-6-1-2-7(17)9(18)13(6)23-14-12(21)11(20)10(19)8(5-16)22-14/h1-3,7-14,16-21H,5H2
InChIKey
WIIDBJNWXCWLKF-UHFFFAOYSA-N
Compound name
2-[4,5-dihydroxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-ylidene]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

63
Patents

329.11105 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.11833 170.4
[M+Na]+ 352.10027 176.9
[M+NH4]+ 347.14487 170.1
[M+K]+ 368.07421 172.9
[M-H]- 328.10377 162.4
[M+Na-2H]- 350.08572 166.3
[M]+ 329.11050 167.5
[M]- 329.11160 167.5
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

No patent data available for this compound.