CID 9562947

Akos024276185

Structural Information

Molecular Formula
C13H10BrN3O2
SMILES
C1=CC(=CN=C1)/C=N/NC(=O)C2=C(C=C(C=C2)Br)O
InChI
InChI=1S/C13H10BrN3O2/c14-10-3-4-11(12(18)6-10)13(19)17-16-8-9-2-1-5-15-7-9/h1-8,18H,(H,17,19)/b16-8+
InChIKey
MTIKJQRVPGJRRX-LZYBPNLTSA-N
Compound name
4-bromo-2-hydroxy-N-[(E)-pyridin-3-ylmethylideneamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

318.99564 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.00292 160.0
[M+Na]+ 341.98486 169.8
[M-H]- 317.98836 167.9
[M+NH4]+ 337.02946 175.9
[M+K]+ 357.95880 157.6
[M+H-H2O]+ 301.99290 157.0
[M+HCOO]- 363.99384 182.5
[M+CH3COO]- 378.00949 204.8
[M+Na-2H]- 339.97031 167.7
[M]+ 318.99509 177.7
[M]- 318.99619 177.7
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.