CID 117081

71215-91-3

Structural Information

Molecular Formula
C21H23N2
SMILES
CCCC[N+]1=CC=C(C2=CC=CC=C21)C=CNC3=CC=CC=C3
InChI
InChI=1S/C21H22N2/c1-2-3-16-23-17-14-18(20-11-7-8-12-21(20)23)13-15-22-19-9-5-4-6-10-19/h4-15,17H,2-3,16H2,1H3/p+1
InChIKey
VFXLRWAHVDQYAJ-UHFFFAOYSA-O
Compound name
N-[2-(1-butylquinolin-1-ium-4-yl)ethenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.18613 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.19341 177.1
[M+Na]+ 326.17535 183.0
[M-H]- 302.17885 182.6
[M+NH4]+ 321.21995 190.9
[M+K]+ 342.14929 170.4
[M+H-H2O]+ 286.18339 169.9
[M+HCOO]- 348.18433 198.2
[M+CH3COO]- 362.19998 202.3
[M+Na-2H]- 324.16080 185.5
[M]+ 303.18558 175.8
[M]- 303.18668 175.8
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.