CID 236515

63203-45-2

Structural Information

Molecular Formula

C₁₂H₁₇N₃O₅

SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NCC(=O)NN

InChI

InChI=1S/C12H17N3O5/c1-18-8-4-7(5-9(19-2)11(8)20-3)12(17)14-6-10(16)15-13/h4-5H,6,13H2,1-3H3,(H,14,17)(H,15,16)

InChIKey

UXECEMOPVFIRRG-UHFFFAOYSA-N

Compound name

N-(2-hydrazinyl-2-oxoethyl)-3,4,5-trimethoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5
Patents: 283.11682 Da
Monoisotopic Mass: -0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	284.12410	162.0
[M+Na]+	306.10604	167.8
[M-H]-	282.10954	165.4
[M+NH4]+	301.15064	176.7
[M+K]+	322.07998	167.7
[M+H-H2O]+	266.11408	154.2
[M+HCOO]-	328.11502	187.3
[M+CH3COO]-	342.13067	208.1
[M+Na-2H]-	304.09149	164.0
[M]+	283.11627	165.0
[M]-	283.11737	165.0

Literature stripe

literature stripe

Patent stripe

patents stripe