CID 28893294

3-amino-n-(5-bromopyridin-2-yl)benzamide

Structural Information

Molecular Formula
C12H10BrN3O
SMILES
C1=CC(=CC(=C1)N)C(=O)NC2=NC=C(C=C2)Br
InChI
InChI=1S/C12H10BrN3O/c13-9-4-5-11(15-7-9)16-12(17)8-2-1-3-10(14)6-8/h1-7H,14H2,(H,15,16,17)
InChIKey
WMPVJUVITZVYGW-UHFFFAOYSA-N
Compound name
3-amino-N-(5-bromopyridin-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

291.00073 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.00801 155.6
[M+Na]+ 313.98995 159.1
[M+NH4]+ 309.03455 159.8
[M+K]+ 329.96389 158.9
[M-H]- 289.99345 158.3
[M+Na-2H]- 311.97540 161.0
[M]+ 291.00018 155.6
[M]- 291.00128 155.6
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

patents stripe