CID 9565512

2-(2-(5-bromo-2-methoxybenzylidene)hydrazino)-2-oxo-n-phenylacetamide

Structural Information

Molecular Formula
C16H14BrN3O3
SMILES
COC1=C(C=C(C=C1)Br)/C=N/NC(=O)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C16H14BrN3O3/c1-23-14-8-7-12(17)9-11(14)10-18-20-16(22)15(21)19-13-5-3-2-4-6-13/h2-10H,1H3,(H,19,21)(H,20,22)/b18-10+
InChIKey
LNCUNBLSKALYOE-VCHYOVAHSA-N
Compound name
N'-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]-N-phenyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.02185 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.02913 175.7
[M+Na]+ 398.01107 183.4
[M-H]- 374.01457 185.4
[M+NH4]+ 393.05567 190.6
[M+K]+ 413.98501 172.0
[M+H-H2O]+ 358.01911 171.5
[M+HCOO]- 420.02005 199.8
[M+CH3COO]- 434.03570 218.8
[M+Na-2H]- 395.99652 181.0
[M]+ 375.02130 194.5
[M]- 375.02240 194.5
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.