CID 9576504

Lllilzlfkgjccv-uhfffaoysa-m

Structural Information

Molecular Formula
C14H16N3
SMILES
C[N+]1=CC=C(C=C1)/C=N/N(C)C2=CC=CC=C2
InChI
InChI=1S/C14H16N3/c1-16-10-8-13(9-11-16)12-15-17(2)14-6-4-3-5-7-14/h3-12H,1-2H3/q+1
InChIKey
FGVWHENWNJKCEH-UHFFFAOYSA-N
Compound name
N-methyl-N-[(E)-(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

5971
Patents

226.13443 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.14171 152.3
[M+Na]+ 249.12365 158.8
[M-H]- 225.12715 160.5
[M+NH4]+ 244.16825 169.3
[M+K]+ 265.09759 150.8
[M+H-H2O]+ 209.13169 145.8
[M+HCOO]- 271.13263 179.2
[M+CH3COO]- 285.14828 193.3
[M+Na-2H]- 247.10910 162.4
[M]+ 226.13388 151.9
[M]- 226.13498 151.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe