CID 9575487

N-[(e)-(4-acetamidophenyl)methyleneamino]-4-bromo-2-hydroxy-benzamide

Structural Information

Molecular Formula
C16H14BrN3O3
SMILES
CC(=O)NC1=CC=C(C=C1)/C=N/NC(=O)C2=C(C=C(C=C2)Br)O
InChI
InChI=1S/C16H14BrN3O3/c1-10(21)19-13-5-2-11(3-6-13)9-18-20-16(23)14-7-4-12(17)8-15(14)22/h2-9,22H,1H3,(H,19,21)(H,20,23)/b18-9+
InChIKey
DUZHPVHHOJDHKI-GIJQJNRQSA-N
Compound name
N-[(E)-(4-acetamidophenyl)methylideneamino]-4-bromo-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.02185 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.029126 175.9
[M+Na]+ 398.011068 183.9
[M-H]- 374.014574 184.6
[M+NH4]+ 393.055673 190.3
[M+K]+ 413.985008 171.7
[M+H-H2O]+ 358.019110 172.0
[M+HCOO]- 420.020051 198.5
[M+CH3COO]- 434.035701 218.4
[M+Na-2H]- 395.996516 180.1
[M]+ 375.02130142 193.4
[M]- 375.02239858 193.4
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

No patent data available for this compound.