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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.14338 158.0
[M+Na]+ 270.12532 176.6
[M+NH4]+ 265.16992 168.6
[M+K]+ 286.09926 166.2
[M-H]- 246.12882 164.7
[M+Na-2H]- 268.11077 168.9
[M]+ 247.13555 163.0
[M]- 247.13665 163.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe