CID 51060822

2-(2-(5-bromo-2-(2-propynyloxy)benzylidene)hydrazino)-n-(4-methoxyphenyl)-2-oxoacetamide

Structural Information

Molecular Formula
C19H16BrN3O4
SMILES
COC1=CC=C(C=C1)NC(=O)C(=O)N/N=C/C2=C(C=CC(=C2)Br)OCC#C
InChI
InChI=1S/C19H16BrN3O4/c1-3-10-27-17-9-4-14(20)11-13(17)12-21-23-19(25)18(24)22-15-5-7-16(26-2)8-6-15/h1,4-9,11-12H,10H2,2H3,(H,22,24)(H,23,25)/b21-12+
InChIKey
RRMFDNUCLTZNIE-CIAFOILYSA-N
Compound name
N'-[(E)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.0324 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.03968 192.3
[M+Na]+ 452.02162 201.9
[M-H]- 428.02512 197.7
[M+NH4]+ 447.06622 203.2
[M+K]+ 467.99556 189.0
[M+H-H2O]+ 412.02966 181.6
[M+HCOO]- 474.03060 211.5
[M+CH3COO]- 488.04625 231.8
[M+Na-2H]- 450.00707 193.7
[M]+ 429.03185 205.1
[M]- 429.03295 205.1
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.