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

1
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 166.6
[M+Na]+ 288.15969 173.3
[M-H]- 264.16319 173.3
[M+NH4]+ 283.20429 182.0
[M+K]+ 304.13363 162.9
[M+H-H2O]+ 248.16773 160.3
[M+HCOO]- 310.16867 189.9
[M+CH3COO]- 324.18432 197.3
[M+Na-2H]- 286.14514 172.9
[M]+ 265.16992 166.1
[M]- 265.17102 166.1
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.