CID 135752103

N-(2-(2-(5-bromo-2-hydroxybenzylidene)hydrazino)-2-oxoethyl)-4-methoxybenzamide

Structural Information

Molecular Formula
C17H16BrN3O4
SMILES
COC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=C(C=CC(=C2)Br)O
InChI
InChI=1S/C17H16BrN3O4/c1-25-14-5-2-11(3-6-14)17(24)19-10-16(23)21-20-9-12-8-13(18)4-7-15(12)22/h2-9,22H,10H2,1H3,(H,19,24)(H,21,23)/b20-9+
InChIKey
UTISWMCWKFJGPR-AWQFTUOYSA-N
Compound name
N-[2-[(2E)-2-[(5-bromo-2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.0324 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.03968 182.2
[M+Na]+ 428.02162 189.5
[M-H]- 404.02512 190.6
[M+NH4]+ 423.06622 195.2
[M+K]+ 443.99556 177.8
[M+H-H2O]+ 388.02966 177.7
[M+HCOO]- 450.03060 204.6
[M+CH3COO]- 464.04625 223.3
[M+Na-2H]- 426.00707 186.0
[M]+ 405.03185 201.2
[M]- 405.03295 201.2
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.