CID 6451276

Quaternium-51

Structural Information

Molecular Formula
C15H17BrN3
SMILES
CC[N+]1=C(C=CC=C1/C=C/NC2=NC=C(C=C2)Br)C
InChI
InChI=1S/C15H16BrN3/c1-3-19-12(2)5-4-6-14(19)9-10-17-15-8-7-13(16)11-18-15/h4-11H,3H2,1-2H3/p+1
InChIKey
LLGNGNOMIQEJCD-UHFFFAOYSA-O
Compound name
5-bromo-N-[(E)-2-(1-ethyl-6-methylpyridin-1-ium-2-yl)ethenyl]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

144
Patents

318.06058 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.06786 167.3
[M+Na]+ 341.04980 174.2
[M+NH4]+ 336.09440 172.5
[M+K]+ 357.02374 172.3
[M-H]- 317.05330 171.3
[M+Na-2H]- 339.03525 173.4
[M]+ 318.06003 168.6
[M]- 318.06113 168.6
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