CID 5713122

3915-61-5

Structural Information

Molecular Formula
C20H21N2
SMILES
C[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C20H21N2/c1-21(2)18-12-8-16(9-13-18)10-14-19-15-11-17-6-4-5-7-20(17)22(19)3/h4-15H,1-3H3/q+1
InChIKey
NEOWNATTXBQULQ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

13
References

24
Patents

289.17047 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.17775 172.8
[M+Na]+ 312.15969 180.3
[M-H]- 288.16319 180.5
[M+NH4]+ 307.20429 188.2
[M+K]+ 328.13363 169.3
[M+H-H2O]+ 272.16773 165.9
[M+HCOO]- 334.16867 194.8
[M+CH3COO]- 348.18432 203.7
[M+Na-2H]- 310.14514 180.3
[M]+ 289.16992 172.8
[M]- 289.17102 172.8
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.