CID 6474663

Trifluoro-acetate4-dimethylamino-1-(5,9,13-trimethyl-tetradeca-4,8,12-trienyl)-pyridinium

Structural Information

Molecular Formula
C24H39N2
SMILES
CC(=CCC/C(=C/CCC(=CCCC[N+]1=CC=C(C=C1)N(C)C)C)/C)C
InChI
InChI=1S/C24H39N2/c1-21(2)11-9-13-23(4)15-10-14-22(3)12-7-8-18-26-19-16-24(17-20-26)25(5)6/h11-12,15-17,19-20H,7-10,13-14,18H2,1-6H3/q+1/b22-12?,23-15+
InChIKey
CFONGTVURBLJKY-HWYDAIJVSA-N
Compound name
N,N-dimethyl-1-[(8E)-5,9,13-trimethyltetradeca-4,8,12-trienyl]pyridin-1-ium-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.3113 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.31858 198.5
[M+Na]+ 378.30052 200.2
[M-H]- 354.30402 200.3
[M+NH4]+ 373.34512 210.3
[M+K]+ 394.27446 190.0
[M+H-H2O]+ 338.30856 192.3
[M+HCOO]- 400.30950 215.7
[M+CH3COO]- 414.32515 219.1
[M+Na-2H]- 376.28597 196.3
[M]+ 355.31075 199.8
[M]- 355.31185 199.8
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

No patent data available for this compound.