CID 9603365

223676-17-3

Structural Information

Molecular Formula

C₁₆H₁₇N₃O₅

SMILES

COC1=C(C=C(C=C1)C(=O)NCC(=O)N/N=C/C2=CC=CO2)OC

InChI

InChI=1S/C16H17N3O5/c1-22-13-6-5-11(8-14(13)23-2)16(21)17-10-15(20)19-18-9-12-4-3-7-24-12/h3-9H,10H2,1-2H3,(H,17,21)(H,19,20)/b18-9+

InChIKey

YJHACQYJACPSDQ-GIJQJNRQSA-N

Compound name

N-[2-[(2E)-2-(furan-2-ylmethylidene)hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1
Patents: 331.11682 Da
Monoisotopic Mass: 1.5
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]+	332.124096	175.9
[M+Na]+	354.106038	180.9
[M-H]-	330.109544	184.8
[M+NH4]+	349.150643	189.5
[M+K]+	370.079978	180.8
[M+H-H2O]+	314.114080	167.0
[M+HCOO]-	376.115021	203.5
[M+CH3COO]-	390.130671	216.0
[M+Na-2H]-	352.091486	179.5
[M]+	331.11627142	180.9
[M]-	331.11736858	180.9

Literature stripe

literature stripe

Patent stripe

patents stripe