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]+ 376.02913 175.9
[M+Na]+ 398.01107 183.9
[M-H]- 374.01457 184.6
[M+NH4]+ 393.05567 190.3
[M+K]+ 413.98501 171.7
[M+H-H2O]+ 358.01911 172.0
[M+HCOO]- 420.02005 198.5
[M+CH3COO]- 434.03570 218.4
[M+Na-2H]- 395.99652 180.1
[M]+ 375.02130 193.4
[M]- 375.02240 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.