CID 3075887

1-(2-((2-((4-methylphenyl)amino)phenyl)amino)-2-oxoethyl)pyridinium chloride

Structural Information

Molecular Formula
C20H20N3O
SMILES
CC1=CC=C(C=C1)NC2=CC=CC=C2NC(=O)C[N+]3=CC=CC=C3
InChI
InChI=1S/C20H19N3O/c1-16-9-11-17(12-10-16)21-18-7-3-4-8-19(18)22-20(24)15-23-13-5-2-6-14-23/h2-14,21H,15H2,1H3/p+1
InChIKey
XIXBKJSGCBZPFS-UHFFFAOYSA-O
Compound name
N-[2-(4-methylanilino)phenyl]-2-pyridin-1-ium-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

318.16064 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.16792 178.2
[M+Na]+ 341.14986 183.1
[M-H]- 317.15336 186.4
[M+NH4]+ 336.19446 189.4
[M+K]+ 357.12380 171.8
[M+H-H2O]+ 301.15790 170.2
[M+HCOO]- 363.15884 201.4
[M+CH3COO]- 377.17449 205.2
[M+Na-2H]- 339.13531 186.1
[M]+ 318.16009 175.3
[M]- 318.16119 175.3
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