CID 6453314

56278-25-2

Structural Information

Molecular Formula
C21H21N2O
SMILES
CC[N+]1=CC=C(C2=CC=CC=C21)/C=C/N(C3=CC=CC=C3)C(=O)C
InChI
InChI=1S/C21H21N2O/c1-3-22-15-13-18(20-11-7-8-12-21(20)22)14-16-23(17(2)24)19-9-5-4-6-10-19/h4-16H,3H2,1-2H3/q+1
InChIKey
BKGFIHQKZBVHHF-UHFFFAOYSA-N
Compound name
N-[(E)-2-(1-ethylquinolin-1-ium-4-yl)ethenyl]-N-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

317.16537 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.17265 180.2
[M+Na]+ 340.15459 186.1
[M-H]- 316.15809 187.4
[M+NH4]+ 335.19919 193.9
[M+K]+ 356.12853 175.4
[M+H-H2O]+ 300.16263 172.9
[M+HCOO]- 362.16357 201.2
[M+CH3COO]- 376.17922 206.7
[M+Na-2H]- 338.14004 186.7
[M]+ 317.16482 180.0
[M]- 317.16592 180.0
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