CID 5401994

341981-11-1

Structural Information

Molecular Formula
C13H10BrN3O
SMILES
C1=CC=NC(=C1)C(=O)N/N=C\C2=CC=C(C=C2)Br
InChI
InChI=1S/C13H10BrN3O/c14-11-6-4-10(5-7-11)9-16-17-13(18)12-3-1-2-8-15-12/h1-9H,(H,17,18)/b16-9-
InChIKey
ZSLYYVGHLWKLKC-SXGWCWSVSA-N
Compound name
N-[(Z)-(4-bromophenyl)methylideneamino]pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.00073 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.00801 157.0
[M+Na]+ 325.98995 166.6
[M-H]- 301.99345 165.8
[M+NH4]+ 321.03455 174.0
[M+K]+ 341.96389 154.6
[M+H-H2O]+ 285.99799 154.0
[M+HCOO]- 347.99893 180.7
[M+CH3COO]- 362.01458 204.0
[M+Na-2H]- 323.97540 165.8
[M]+ 303.00018 174.8
[M]- 303.00128 174.8
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.