CID 13498692

22753-88-4

Structural Information

Molecular Formula
C19H13BrN2O2
SMILES
C1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)Br)C(=O)C3=CC=CC=N3
InChI
InChI=1S/C19H13BrN2O2/c20-14-9-10-16(22-19(24)13-6-2-1-3-7-13)15(12-14)18(23)17-8-4-5-11-21-17/h1-12H,(H,22,24)
InChIKey
JBFBLJZYATVKLI-UHFFFAOYSA-N
Compound name
N-[4-bromo-2-(pyridine-2-carbonyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.01605 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.02333 179.3
[M+Na]+ 403.00527 187.9
[M-H]- 379.00877 189.6
[M+NH4]+ 398.04987 192.3
[M+K]+ 418.97921 175.5
[M+H-H2O]+ 363.01331 175.9
[M+HCOO]- 425.01425 199.0
[M+CH3COO]- 439.02990 191.1
[M+Na-2H]- 400.99072 184.6
[M]+ 380.01550 196.6
[M]- 380.01660 196.6
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

No patent data available for this compound.