CID 4193971

2-mesitylquinoline

Structural Information

Molecular Formula

C₁₈H₁₇N

SMILES

CC1=CC(=C(C(=C1)C)C2=NC3=CC=CC=C3C=C2)C

InChI

InChI=1S/C18H17N/c1-12-10-13(2)18(14(3)11-12)17-9-8-15-6-4-5-7-16(15)19-17/h4-11H,1-3H3

InChIKey

XYWMCTLTWRSGFQ-UHFFFAOYSA-N

Compound name

2-(2,4,6-trimethylphenyl)quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 247.1361 Da
Monoisotopic Mass: 5.0
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]+	248.14338	157.7
[M+Na]+	270.12532	167.8
[M-H]-	246.12882	164.6
[M+NH4]+	265.16992	175.3
[M+K]+	286.09926	162.0
[M+H-H2O]+	230.13336	149.2
[M+HCOO]-	292.13430	179.1
[M+CH3COO]-	306.14995	170.6
[M+Na-2H]-	268.11077	163.9
[M]+	247.13555	158.8
[M]-	247.13665	158.8

Literature stripe

literature stripe

Patent stripe

patents stripe