CID 1405133

Nsc4239

Structural Information

Molecular Formula
C20H21N2
SMILES
C[N+]1=CC=C(C2=CC=CC=C21)/C=C/C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C20H21N2/c1-21(2)18-12-9-16(10-13-18)8-11-17-14-15-22(3)20-7-5-4-6-19(17)20/h4-15H,1-3H3/q+1
InChIKey
KKVCEMBXOHNBRG-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-[(E)-2-(1-methylquinolin-1-ium-4-yl)ethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
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

literature stripe

Patent stripe

patents stripe