CID 513399

2-tetradecylquinoline

Structural Information

Molecular Formula
C23H35N
SMILES
CCCCCCCCCCCCCCC1=NC2=CC=CC=C2C=C1
InChI
InChI=1S/C23H35N/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-20-19-21-16-14-15-18-23(21)24-22/h14-16,18-20H,2-13,17H2,1H3
InChIKey
YWOSVGKMVIXHQV-UHFFFAOYSA-N
Compound name
2-tetradecylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

325.27695 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.28423 186.9
[M+Na]+ 348.26617 190.5
[M-H]- 324.26967 187.6
[M+NH4]+ 343.31077 200.7
[M+K]+ 364.24011 184.1
[M+H-H2O]+ 308.27421 177.4
[M+HCOO]- 370.27515 205.1
[M+CH3COO]- 384.29080 214.5
[M+Na-2H]- 346.25162 189.8
[M]+ 325.27640 191.2
[M]- 325.27750 191.2
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