CID 212944

25413-50-7

Structural Information

Molecular Formula
C21H25N2
SMILES
CCN(CC)C1=CC=C(C=C1)C2=[N+](C3=C(C=C2)C=C(C=C3)C)C
InChI
InChI=1S/C21H25N2/c1-5-23(6-2)19-11-8-17(9-12-19)20-14-10-18-15-16(3)7-13-21(18)22(20)4/h7-15H,5-6H2,1-4H3/q+1
InChIKey
GCWVKRJDDBYCAZ-UHFFFAOYSA-N
Compound name
4-(1,6-dimethylquinolin-1-ium-2-yl)-N,N-diethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.20178 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.20906 174.1
[M+Na]+ 328.19100 193.0
[M+NH4]+ 323.23560 185.1
[M+K]+ 344.16494 183.4
[M-H]- 304.19450 183.0
[M+Na-2H]- 326.17645 185.2
[M]+ 305.20123 180.1
[M]- 305.20233 180.1
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.