CID 870618

Dtxsid601329370

Structural Information

Molecular Formula
C15H12BrN3O
SMILES
C1=CC=C(C=C1)/C=C(/C=NNC(=O)C2=CN=CC=C2)\Br
InChI
InChI=1S/C15H12BrN3O/c16-14(9-12-5-2-1-3-6-12)11-18-19-15(20)13-7-4-8-17-10-13/h1-11H,(H,19,20)/b14-9-,18-11?
InChIKey
TVSMUAJOTDYHDE-CRLSKKMNSA-N
Compound name
N-[[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.01636 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.02364 165.6
[M+Na]+ 352.00558 173.5
[M-H]- 328.00908 173.8
[M+NH4]+ 347.05018 181.2
[M+K]+ 367.97952 161.0
[M+H-H2O]+ 312.01362 162.2
[M+HCOO]- 374.01456 187.9
[M+CH3COO]- 388.03021 208.0
[M+Na-2H]- 349.99103 172.9
[M]+ 329.01581 182.4
[M]- 329.01691 182.4
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.