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]+ 418.07608 188.8
[M+Na]+ 440.05802 195.1
[M-H]- 416.06152 197.8
[M+NH4]+ 435.10262 201.9
[M+K]+ 456.03196 183.1
[M+H-H2O]+ 400.06606 183.9
[M+HCOO]- 462.06700 211.9
[M+CH3COO]- 476.08265 227.7
[M+Na-2H]- 438.04347 192.6
[M]+ 417.06825 208.6
[M]- 417.06935 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.