CID 6441770

Einecs 273-847-9

Structural Information

Molecular Formula

C₂₁H₂₉NO

SMILES

CCCC1=C2C=CC(=C(C2=NC(=C1CCC)CCC)O)/C=C/C

InChI

InChI=1S/C21H29NO/c1-5-9-15-13-14-18-16(10-6-2)17(11-7-3)19(12-8-4)22-20(18)21(15)23/h5,9,13-14,23H,6-8,10-12H2,1-4H3/b9-5+

InChIKey

SYCDLJCJMTXSIJ-WEVVVXLNSA-N

Compound name

7-[(E)-prop-1-enyl]-2,3,4-tripropylquinolin-8-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 311.2249 Da
Monoisotopic Mass: 6.7
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]+	312.232176	179.8
[M+Na]+	334.214118	188.0
[M-H]-	310.217624	181.4
[M+NH4]+	329.258723	194.9
[M+K]+	350.188058	181.5
[M+H-H2O]+	294.222160	172.2
[M+HCOO]-	356.223101	197.7
[M+CH3COO]-	370.238751	211.3
[M+Na-2H]-	332.199566	180.8
[M]+	311.22435142	184.0
[M]-	311.22544858	184.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.