CID 9588835

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

Structural Information

Molecular Formula
C15H17BrN3
SMILES
CC1=C(C=CC=[N+]1/N=C/C2=CC=C(C=C2)N(C)C)Br
InChI
InChI=1S/C15H17BrN3/c1-12-15(16)5-4-10-19(12)17-11-13-6-8-14(9-7-13)18(2)3/h4-11H,1-3H3/q+1/b17-11+
InChIKey
VNMCDUJVOXSARO-GZTJUZNOSA-N
Compound name
4-[(E)-(3-bromo-2-methylpyridin-1-ium-1-yl)iminomethyl]-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.06058 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.06786 166.9
[M+Na]+ 341.04980 177.5
[M-H]- 317.05330 177.6
[M+NH4]+ 336.09440 184.4
[M+K]+ 357.02374 160.9
[M+H-H2O]+ 301.05784 166.2
[M+HCOO]- 363.05878 190.6
[M+CH3COO]- 377.07443 207.2
[M+Na-2H]- 339.03525 175.5
[M]+ 318.06003 186.4
[M]- 318.06113 186.4
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.