CID 117045

4-(2-acetanilinovinyl)-1-butylquinolinium iodide

Structural Information

Molecular Formula
C23H25N2O
SMILES
CCCC[N+]1=CC=C(C2=CC=CC=C21)C=CN(C3=CC=CC=C3)C(=O)C
InChI
InChI=1S/C23H25N2O/c1-3-4-16-24-17-14-20(22-12-8-9-13-23(22)24)15-18-25(19(2)26)21-10-6-5-7-11-21/h5-15,17-18H,3-4,16H2,1-2H3/q+1
InChIKey
KMUUYRUGFHNLDG-UHFFFAOYSA-N
Compound name
N-[2-(1-butylquinolin-1-ium-4-yl)ethenyl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.1967 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.20398 189.7
[M+Na]+ 368.18592 194.7
[M-H]- 344.18942 196.4
[M+NH4]+ 363.23052 202.2
[M+K]+ 384.15986 183.5
[M+H-H2O]+ 328.19396 181.9
[M+HCOO]- 390.19490 209.9
[M+CH3COO]- 404.21055 212.7
[M+Na-2H]- 366.17137 195.1
[M]+ 345.19615 190.1
[M]- 345.19725 190.1
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.