CID 5751334

Mls001209427

Structural Information

Molecular Formula
C14H12BrN3O
SMILES
C/C(=N\NC(=O)C1=CN=CC=C1)/C2=CC=C(C=C2)Br
InChI
InChI=1S/C14H12BrN3O/c1-10(11-4-6-13(15)7-5-11)17-18-14(19)12-3-2-8-16-9-12/h2-9H,1H3,(H,18,19)/b17-10+
InChIKey
VVKINSAQHIQASB-LICLKQGHSA-N
Compound name
N-[(E)-1-(4-bromophenyl)ethylideneamino]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

317.01636 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.02364 162.2
[M+Na]+ 340.00558 171.1
[M-H]- 316.00908 170.9
[M+NH4]+ 335.05018 178.6
[M+K]+ 355.97952 159.4
[M+H-H2O]+ 300.01362 159.1
[M+HCOO]- 362.01456 184.7
[M+CH3COO]- 376.03021 207.6
[M+Na-2H]- 337.99103 169.3
[M]+ 317.01581 179.8
[M]- 317.01691 179.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.