CID 192490

Uralene

Structural Information

Molecular Formula
C21H20O7
SMILES
CC(=CCC1=CC(=C(C=C1C2=C(C(=O)C3=C(O2)C=CC(=C3O)O)OC)O)O)C
InChI
InChI=1S/C21H20O7/c1-10(2)4-5-11-8-14(23)15(24)9-12(11)20-21(27-3)19(26)17-16(28-20)7-6-13(22)18(17)25/h4,6-9,22-25H,5H2,1-3H3
InChIKey
QSIXTSXIETZHGN-UHFFFAOYSA-N
Compound name
2-[4,5-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-5,6-dihydroxy-3-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

384.1209 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.12818 190.0
[M+Na]+ 407.11012 203.9
[M+NH4]+ 402.15472 194.5
[M+K]+ 423.08406 199.4
[M-H]- 383.11362 192.8
[M+Na-2H]- 405.09557 192.8
[M]+ 384.12035 192.6
[M]- 384.12145 192.6
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