CID 24845889

1r-1-allyl-2-methyldecahydroquinoline-5-ol benzoate

Structural Information

Molecular Formula

C₂₀H₁₉NO₂

SMILES

CC1=CCC2=C(N1CC=C)C=CC=C2OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO2/c1-3-14-21-15(2)12-13-17-18(21)10-7-11-19(17)23-20(22)16-8-5-4-6-9-16/h3-12H,1,13-14H2,2H3

InChIKey

XHEDRHNXBWRDJX-UHFFFAOYSA-N

Compound name

(2-methyl-1-prop-2-enyl-4H-quinolin-5-yl) benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 305.14157 Da
Monoisotopic Mass: 4.9
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]+	306.148846	173.0
[M+Na]+	328.130788	180.2
[M-H]-	304.134294	178.8
[M+NH4]+	323.175393	187.3
[M+K]+	344.104728	174.7
[M+H-H2O]+	288.138830	163.7
[M+HCOO]-	350.139771	192.0
[M+CH3COO]-	364.155421	206.7
[M+Na-2H]-	326.116236	176.6
[M]+	305.14102142	173.6
[M]-	305.14211858	173.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.