CID 123158

Galvanoxyl

Structural Information

Molecular Formula

C₂₉H₄₁O₂

SMILES

CC(C)CC1=CC(=CC(=C1[O])CC(C)C)C=C2C=C(C(=O)C(=C2)CC(C)C)CC(C)C

InChI

InChI=1S/C29H41O2/c1-18(2)9-24-14-22(15-25(28(24)30)10-19(3)4)13-23-16-26(11-20(5)6)29(31)27(17-23)12-21(7)8/h13-21H,9-12H2,1-8H3

InChIKey

GOVAISVZGLQKDS-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 48
References: 0
Patents: 421.31067 Da
Monoisotopic Mass: 8.7
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]+	422.31795	210.8
[M+Na]+	444.29989	222.7
[M+NH4]+	439.34449	216.7
[M+K]+	460.27383	215.1
[M-H]-	420.30339	214.2
[M+Na-2H]-	442.28534	214.0
[M]+	421.31012	213.5
[M]-	421.31122	213.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.