CID 5353565

Pyridinium, 2-(2-(4-(dimethylamino)phenyl)ethenyl)-1-ethyl-, iodide (1:1)

Structural Information

Molecular Formula
C17H21N2
SMILES
CC[N+]1=CC=CC=C1/C=C/C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C17H21N2/c1-4-19-14-6-5-7-17(19)13-10-15-8-11-16(12-9-15)18(2)3/h5-14H,4H2,1-3H3/q+1
InChIKey
VZWMLCVBIUHDKX-UHFFFAOYSA-N
Compound name
4-[(E)-2-(1-ethylpyridin-1-ium-2-yl)ethenyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

37
References

110
Patents

253.17047 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.17775 162.9
[M+Na]+ 276.15969 169.6
[M-H]- 252.16319 169.6
[M+NH4]+ 271.20429 178.8
[M+K]+ 292.13363 160.0
[M+H-H2O]+ 236.16773 156.7
[M+HCOO]- 298.16867 186.3
[M+CH3COO]- 312.18432 196.0
[M+Na-2H]- 274.14514 169.7
[M]+ 253.16992 162.8
[M]- 253.17102 162.8
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