CID 410226

1-tetradecylquinolinium bromide

Structural Information

Molecular Formula
C23H36N
SMILES
CCCCCCCCCCCCCC[N+]1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C23H36N/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-24-21-16-18-22-17-13-14-19-23(22)24/h13-14,16-19,21H,2-12,15,20H2,1H3/q+1
InChIKey
AGHLELVZEQGXJC-UHFFFAOYSA-N
Compound name
1-tetradecylquinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

326.2848 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.29208 190.1
[M+Na]+ 349.27402 193.5
[M-H]- 325.27752 191.2
[M+NH4]+ 344.31862 203.6
[M+K]+ 365.24796 181.8
[M+H-H2O]+ 309.28206 183.4
[M+HCOO]- 371.28300 208.0
[M+CH3COO]- 385.29865 208.3
[M+Na-2H]- 347.25947 195.0
[M]+ 326.28425 193.2
[M]- 326.28535 193.2
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

patents stripe