CID 16492775

N-(2-(2-(5-bromo-2-(2-propynyloxy)benzylidene)hydrazino)-2-oxoethyl)-3,4-dimethoxybenzamide

Structural Information

Molecular Formula
C21H20BrN3O5
SMILES
COC1=C(C=C(C=C1)C(=O)NCC(=O)N/N=C/C2=C(C=CC(=C2)Br)OCC#C)OC
InChI
InChI=1S/C21H20BrN3O5/c1-4-9-30-17-8-6-16(22)10-15(17)12-24-25-20(26)13-23-21(27)14-5-7-18(28-2)19(11-14)29-3/h1,5-8,10-12H,9,13H2,2-3H3,(H,23,27)(H,25,26)/b24-12+
InChIKey
LSBRDPQRDAEHFQ-WYMPLXKRSA-N
Compound name
N-[2-[(2E)-2-[(5-bromo-2-prop-2-ynoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.05862 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.06590 200.6
[M+Na]+ 496.04784 209.7
[M-H]- 472.05134 205.9
[M+NH4]+ 491.09244 209.9
[M+K]+ 512.02178 197.4
[M+H-H2O]+ 456.05588 189.4
[M+HCOO]- 518.05682 219.3
[M+CH3COO]- 532.07247 240.2
[M+Na-2H]- 494.03329 200.8
[M]+ 473.05807 215.5
[M]- 473.05917 215.5
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.