CID 3022122

Brn 4444237

Structural Information

Molecular Formula
C13H11BrN2O
SMILES
CC1=C(C=CC=N1)C(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C13H11BrN2O/c1-9-12(3-2-8-15-9)13(17)16-11-6-4-10(14)5-7-11/h2-8H,1H3,(H,16,17)
InChIKey
XALCNLHVJAQQLB-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-2-methylpyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.0055 Da
Monoisotopic Mass

2.8
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.