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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	313.14345	172.4
[M+Na]+	335.12539	180.5
[M-H]-	311.12889	173.0
[M+NH4]+	330.16999	187.2
[M+K]+	351.09933	174.6
[M+H-H2O]+	295.13343	166.6
[M+HCOO]-	357.13437	185.4
[M+CH3COO]-	371.15002	202.8
[M+Na-2H]-	333.11084	173.7
[M]+	312.13562	171.4
[M]-	312.13672	171.4

Literature stripe

literature stripe

Patent stripe

patents stripe