CID 3085737

7-(4-ethyl-1-methyleneoctyl)-8-guinolinol

Structural Information

Molecular Formula
C20H27NO
SMILES
CCCC[C@@H](CC)CCC(=C)C1=C(C2=C(C=CC=N2)C=C1)O
InChI
InChI=1S/C20H27NO/c1-4-6-8-16(5-2)11-10-15(3)18-13-12-17-9-7-14-21-19(17)20(18)22/h7,9,12-14,16,22H,3-6,8,10-11H2,1-2H3/t16-/m1/s1
InChIKey
XMMALARTZCMXCN-MRXNPFEDSA-N
Compound name
7-[(5R)-5-ethylnon-1-en-2-yl]quinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.20926 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.216536 176.0
[M+Na]+ 320.198478 181.1
[M-H]- 296.201984 176.7
[M+NH4]+ 315.243083 190.4
[M+K]+ 336.172418 175.6
[M+H-H2O]+ 280.206520 168.1
[M+HCOO]- 342.207461 192.2
[M+CH3COO]- 356.223111 207.0
[M+Na-2H]- 318.183926 177.2
[M]+ 297.20871142 177.4
[M]- 297.20980858 177.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.