CID 71464118

N-(5-bromo-3-methylpyridin-2-yl)-n-methylbenzamide

Structural Information

Molecular Formula
C14H13BrN2O
SMILES
CC1=CC(=CN=C1N(C)C(=O)C2=CC=CC=C2)Br
InChI
InChI=1S/C14H13BrN2O/c1-10-8-12(15)9-16-13(10)17(2)14(18)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKey
CSOQEDDCMIREKI-UHFFFAOYSA-N
Compound name
N-(5-bromo-3-methylpyridin-2-yl)-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

304.02112 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.02840 159.7
[M+Na]+ 327.01034 170.1
[M-H]- 303.01384 168.9
[M+NH4]+ 322.05494 177.3
[M+K]+ 342.98428 159.3
[M+H-H2O]+ 287.01838 157.4
[M+HCOO]- 349.01932 181.1
[M+CH3COO]- 363.03497 205.5
[M+Na-2H]- 324.99579 165.8
[M]+ 304.02057 179.1
[M]- 304.02167 179.1
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