CID 9589008

2-chloro-1-(((4-(dimethylamino)phenyl)methylene)amino)-6-methylpyridinium perchlorate

Structural Information

Molecular Formula
C15H17ClN3
SMILES
CC1=[N+](C(=CC=C1)Cl)/N=C/C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C15H17ClN3/c1-12-5-4-6-15(16)19(12)17-11-13-7-9-14(10-8-13)18(2)3/h4-11H,1-3H3/q+1/b17-11+
InChIKey
DFCWFYSNIVKLEW-GZTJUZNOSA-N
Compound name
4-[(E)-(2-chloro-6-methylpyridin-1-ium-1-yl)iminomethyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.1111 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.11838 164.4
[M+Na]+ 297.10032 172.9
[M-H]- 273.10382 172.6
[M+NH4]+ 292.14492 180.8
[M+K]+ 313.07426 163.0
[M+H-H2O]+ 257.10836 158.6
[M+HCOO]- 319.10930 186.2
[M+CH3COO]- 333.12495 202.2
[M+Na-2H]- 295.08577 171.7
[M]+ 274.11055 167.3
[M]- 274.11165 167.3
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.