CID 720143

4-bromo-n-(6-methylpyridin-2-yl)benzamide

Structural Information

Molecular Formula
C13H11BrN2O
SMILES
CC1=NC(=CC=C1)NC(=O)C2=CC=C(C=C2)Br
InChI
InChI=1S/C13H11BrN2O/c1-9-3-2-4-12(15-9)16-13(17)10-5-7-11(14)8-6-10/h2-8H,1H3,(H,15,16,17)
InChIKey
KKOSZUFBVHBOLY-UHFFFAOYSA-N
Compound name
4-bromo-N-(6-methylpyridin-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

290.0055 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.01278 155.5
[M+Na]+ 312.99472 166.2
[M-H]- 288.99822 163.5
[M+NH4]+ 308.03932 173.1
[M+K]+ 328.96866 154.2
[M+H-H2O]+ 273.00276 153.6
[M+HCOO]- 335.00370 176.7
[M+CH3COO]- 349.01935 199.5
[M+Na-2H]- 310.98017 162.8
[M]+ 290.00495 173.5
[M]- 290.00605 173.5
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

patents stripe