CID 5048382

2,4-dimethoxy-4b,5,6,8,8a-hexahydro-9(10h)-phenanthrone

Structural Information

Molecular Formula

C₁₆H₂₀O₃

SMILES

COC1=CC2=C(C3CCCCC3C(=O)C2)C(=C1)OC

InChI

InChI=1S/C16H20O3/c1-18-11-7-10-8-14(17)12-5-3-4-6-13(12)16(10)15(9-11)19-2/h7,9,12-13H,3-6,8H2,1-2H3

InChIKey

YUQUDMLLQQVQRX-UHFFFAOYSA-N

Compound name

2,4-dimethoxy-5,6,7,8,8a,10-hexahydro-4bH-phenanthren-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 260.14124 Da
Monoisotopic Mass: 3.1
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]+	261.148516	157.7
[M+Na]+	283.130458	164.4
[M-H]-	259.133964	162.3
[M+NH4]+	278.175063	176.7
[M+K]+	299.104398	161.2
[M+H-H2O]+	243.138500	150.8
[M+HCOO]-	305.139441	174.4
[M+CH3COO]-	319.155091	199.0
[M+Na-2H]-	281.115906	161.8
[M]+	260.14069142	156.8
[M]-	260.14178858	156.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe