CID 6106460

139557-65-6

Structural Information

Molecular Formula
C18H21N2
SMILES
C[N+]1=CC=CC=C1/C=C/C=C/C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C18H21N2/c1-19(2)17-13-11-16(12-14-17)8-4-5-9-18-10-6-7-15-20(18)3/h4-15H,1-3H3/q+1
InChIKey
AOSFRBLFEDGVIR-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-[(1E,3E)-4-(1-methylpyridin-1-ium-2-yl)buta-1,3-dienyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

265.17047 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.17775 163.8
[M+Na]+ 288.15969 180.6
[M+NH4]+ 283.20429 173.4
[M+K]+ 304.13363 171.8
[M-H]- 264.16319 170.9
[M+Na-2H]- 286.14514 174.4
[M]+ 265.16992 168.7
[M]- 265.17102 168.7
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

No patent data available for this compound.