CID 3079933

126740-43-0

Structural Information

Molecular Formula
C20H20N3O
SMILES
C1CCC2=NC3=CC=CC=C3C(=C2C1)NC(=O)C[N+]4=CC=CC=C4
InChI
InChI=1S/C20H19N3O/c24-19(14-23-12-6-1-7-13-23)22-20-15-8-2-4-10-17(15)21-18-11-5-3-9-16(18)20/h1-2,4,6-8,10,12-13H,3,5,9,11,14H2/p+1
InChIKey
YAIATCWBEBCJOI-UHFFFAOYSA-O
Compound name
2-pyridin-1-ium-1-yl-N-(1,2,3,4-tetrahydroacridin-9-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.16064 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.16792 176.3
[M+Na]+ 341.14986 181.2
[M-H]- 317.15336 181.0
[M+NH4]+ 336.19446 188.3
[M+K]+ 357.12380 169.4
[M+H-H2O]+ 301.15790 167.8
[M+HCOO]- 363.15884 192.3
[M+CH3COO]- 377.17449 203.4
[M+Na-2H]- 339.13531 185.5
[M]+ 318.16009 171.6
[M]- 318.16119 171.6
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

No patent data available for this compound.