CID 5463011

Chebi:52783

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

52
References

367
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 158.1
[M+Na]+ 262.14405 165.3
[M-H]- 238.14755 165.1
[M+NH4]+ 257.18865 174.6
[M+K]+ 278.11799 156.0
[M+H-H2O]+ 222.15209 152.2
[M+HCOO]- 284.15303 181.9
[M+CH3COO]- 298.16868 193.0
[M+Na-2H]- 260.12950 165.5
[M]+ 239.15428 157.7
[M]- 239.15538 157.7
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

patents stripe