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 178.5
[M+Na]+ 328.19100 186.0
[M-H]- 304.19450 186.2
[M+NH4]+ 323.23560 193.5
[M+K]+ 344.16494 175.4
[M+H-H2O]+ 288.19904 171.4
[M+HCOO]- 350.19998 199.8
[M+CH3COO]- 364.21563 209.4
[M+Na-2H]- 326.17645 184.6
[M]+ 305.20123 179.9
[M]- 305.20233 179.9
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.