CID 9588835

145234-85-1

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]+ 319.067856 166.9
[M+Na]+ 341.049798 177.5
[M-H]- 317.053304 177.6
[M+NH4]+ 336.094403 184.4
[M+K]+ 357.023738 160.9
[M+H-H2O]+ 301.057840 166.2
[M+HCOO]- 363.058781 190.6
[M+CH3COO]- 377.074431 207.2
[M+Na-2H]- 339.035246 175.5
[M]+ 318.06003142 186.4
[M]- 318.06112858 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.