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-methyl-2-pyridinyl)-N-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

304.02112 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.028396 159.7
[M+Na]+ 327.010338 170.1
[M-H]- 303.013844 168.9
[M+NH4]+ 322.054943 177.3
[M+K]+ 342.984278 159.3
[M+H-H2O]+ 287.018380 157.4
[M+HCOO]- 349.019321 181.1
[M+CH3COO]- 363.034971 205.5
[M+Na-2H]- 324.995786 165.8
[M]+ 304.02057142 179.1
[M]- 304.02166858 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