CID 51060926

N-(2-(2-(5-bromo-2-(2-propynyloxy)benzylidene)hydrazino)-2-oxoethyl)-4-methoxybenzamide

Structural Information

Molecular Formula
C20H18BrN3O4
SMILES
COC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=C(C=CC(=C2)Br)OCC#C
InChI
InChI=1S/C20H18BrN3O4/c1-3-10-28-18-9-6-16(21)11-15(18)12-23-24-19(25)13-22-20(26)14-4-7-17(27-2)8-5-14/h1,4-9,11-12H,10,13H2,2H3,(H,22,26)(H,24,25)/b23-12+
InChIKey
PULABMYBMDSHGF-FSJBWODESA-N
Compound name
N-[2-[(2E)-2-[(5-bromo-2-prop-2-ynoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.04807 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.05535 195.7
[M+Na]+ 466.03729 204.9
[M-H]- 442.04079 200.9
[M+NH4]+ 461.08189 206.0
[M+K]+ 482.01123 191.8
[M+H-H2O]+ 426.04533 184.8
[M+HCOO]- 488.04627 214.6
[M+CH3COO]- 502.06192 234.8
[M+Na-2H]- 464.02274 196.7
[M]+ 443.04752 208.9
[M]- 443.04862 208.9
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.