CID 51060649

2-(2-(5-br-2-(2-propynyloxy)benzylidene)hydrazino)-n-(1-naphthyl)-2-oxoacetamide

Structural Information

Molecular Formula
C22H16BrN3O3
SMILES
C#CCOC1=C(C=C(C=C1)Br)/C=N/NC(=O)C(=O)NC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C22H16BrN3O3/c1-2-12-29-20-11-10-17(23)13-16(20)14-24-26-22(28)21(27)25-19-9-5-7-15-6-3-4-8-18(15)19/h1,3-11,13-14H,12H2,(H,25,27)(H,26,28)/b24-14+
InChIKey
WXNRMGQGCLUTNZ-ZVHZXABRSA-N
Compound name
N'-[(E)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-N-naphthalen-1-yloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.0375 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.04478 203.3
[M+Na]+ 472.02672 213.3
[M-H]- 448.03022 208.8
[M+NH4]+ 467.07132 214.1
[M+K]+ 488.00066 198.1
[M+H-H2O]+ 432.03476 192.8
[M+HCOO]- 494.03570 221.0
[M+CH3COO]- 508.05135 235.5
[M+Na-2H]- 470.01217 205.5
[M]+ 449.03695 214.7
[M]- 449.03805 214.7
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.