CID 6445351

1-cinnamyl-4-imino-1,4-dihydropyridine hydrobromide

Structural Information

Molecular Formula
C14H14N2
SMILES
C1=CC=C(C=C1)/C=C/CN2C=CC(=N)C=C2
InChI
InChI=1S/C14H14N2/c15-14-8-11-16(12-9-14)10-4-7-13-5-2-1-3-6-13/h1-9,11-12,15H,10H2/b7-4+
InChIKey
VLIHIUQTABWBFE-QPJJXVBHSA-N
Compound name
1-[(E)-3-phenylprop-2-enyl]pyridin-4-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.11569 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.12297 146.3
[M+Na]+ 233.10491 153.8
[M-H]- 209.10841 151.5
[M+NH4]+ 228.14951 163.3
[M+K]+ 249.07885 148.3
[M+H-H2O]+ 193.11295 138.1
[M+HCOO]- 255.11389 170.9
[M+CH3COO]- 269.12954 188.4
[M+Na-2H]- 231.09036 154.2
[M]+ 210.11514 144.1
[M]- 210.11624 144.1
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.