CID 480817

Gancaonin v

Structural Information

Molecular Formula
C19H20O4
SMILES
CC(=CCC1=C2CCC3=CC(=C(C=C3C2=C(C=C1O)O)O)O)C
InChI
InChI=1S/C19H20O4/c1-10(2)3-5-12-13-6-4-11-7-16(21)17(22)8-14(11)19(13)18(23)9-15(12)20/h3,7-9,20-23H,4-6H2,1-2H3
InChIKey
UEXOPXIMQJMWKA-UHFFFAOYSA-N
Compound name
8-(3-methylbut-2-enyl)-9,10-dihydrophenanthrene-2,3,5,7-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

312.13617 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.14345 172.9
[M+Na]+ 335.12539 185.8
[M+NH4]+ 330.16999 180.0
[M+K]+ 351.09933 179.6
[M-H]- 311.12889 174.1
[M+Na-2H]- 333.11084 175.2
[M]+ 312.13562 175.0
[M]- 312.13672 175.0
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