CID 45054697

N-(2-(2-(3-bromobenzylidene)hydrazino)-2-oxoethyl)-4-propoxybenzamide

Structural Information

Molecular Formula
C19H20BrN3O3
SMILES
CCCOC1=CC=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC(=CC=C2)Br
InChI
InChI=1S/C19H20BrN3O3/c1-2-10-26-17-8-6-15(7-9-17)19(25)21-13-18(24)23-22-12-14-4-3-5-16(20)11-14/h3-9,11-12H,2,10,13H2,1H3,(H,21,25)(H,23,24)/b22-12+
InChIKey
FRILHAFWOVZQEQ-WSDLNYQXSA-N
Compound name
N-[2-[(2E)-2-[(3-bromophenyl)methylidene]hydrazinyl]-2-oxoethyl]-4-propoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

417.0688 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.076076 188.8
[M+Na]+ 440.058018 195.1
[M-H]- 416.061524 197.8
[M+NH4]+ 435.102623 201.9
[M+K]+ 456.031958 183.1
[M+H-H2O]+ 400.066060 183.9
[M+HCOO]- 462.067001 211.9
[M+CH3COO]- 476.082651 227.7
[M+Na-2H]- 438.043466 192.6
[M]+ 417.06825142 208.6
[M]- 417.06934858 208.6
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.