CID 730769

959-81-9

Structural Information

Molecular Formula
C16H19N2
SMILES
C[N+]1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C16H19N2/c1-17(2)16-8-6-14(7-9-16)4-5-15-10-12-18(3)13-11-15/h4-13H,1-3H3/q+1
InChIKey
WVKVDDALQQZUGC-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

69
References

268
Patents

239.15483 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.16211 155.3
[M+Na]+ 262.14405 172.5
[M+NH4]+ 257.18865 165.5
[M+K]+ 278.11799 164.3
[M-H]- 238.14755 162.8
[M+Na-2H]- 260.12950 166.6
[M]+ 239.15428 160.4
[M]- 239.15538 160.4
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