CID 51060137

2-(2-(5-bromo-2-(2-propynyloxy)benzylidene)hydrazino)-2-oxo-n-phenylacetamide

Structural Information

Molecular Formula
C18H14BrN3O3
SMILES
C#CCOC1=C(C=C(C=C1)Br)/C=N/NC(=O)C(=O)NC2=CC=CC=C2
InChI
InChI=1S/C18H14BrN3O3/c1-2-10-25-16-9-8-14(19)11-13(16)12-20-22-18(24)17(23)21-15-6-4-3-5-7-15/h1,3-9,11-12H,10H2,(H,21,23)(H,22,24)/b20-12+
InChIKey
FXXFPYFUNCJXQD-UDWIEESQSA-N
Compound name
N'-[(E)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-N-phenyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

399.02185 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.02913 187.1
[M+Na]+ 422.01107 196.8
[M-H]- 398.01457 192.4
[M+NH4]+ 417.05567 198.9
[M+K]+ 437.98501 183.2
[M+H-H2O]+ 382.01911 176.8
[M+HCOO]- 444.02005 206.5
[M+CH3COO]- 458.03570 226.4
[M+Na-2H]- 419.99652 189.4
[M]+ 399.02130 198.3
[M]- 399.02240 198.3
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.