CID 212938

25413-37-0

Structural Information

Molecular Formula
C18H18ClN2
SMILES
C[N+]1=C(C=CC2=C1C=CC(=C2)Cl)C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C18H18ClN2/c1-20(2)16-8-4-13(5-9-16)17-10-6-14-12-15(19)7-11-18(14)21(17)3/h4-12H,1-3H3/q+1
InChIKey
CEAZQBKEWKXPJC-UHFFFAOYSA-N
Compound name
4-(6-chloro-1-methylquinolin-1-ium-2-yl)-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

297.11584 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12312 171.0
[M+Na]+ 320.10506 180.5
[M-H]- 296.10856 178.8
[M+NH4]+ 315.14966 187.2
[M+K]+ 336.07900 169.2
[M+H-H2O]+ 280.11310 165.1
[M+HCOO]- 342.11404 188.8
[M+CH3COO]- 356.12969 204.1
[M+Na-2H]- 318.09051 178.2
[M]+ 297.11529 173.8
[M]- 297.11639 173.8
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

patents stripe