CID 6433705

17788-15-7

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₃

SMILES

C/C=C/C(=O)NC1=CC(=CC=C1)OC(=O)NC

InChI

InChI=1S/C12H14N2O3/c1-3-5-11(15)14-9-6-4-7-10(8-9)17-12(16)13-2/h3-8H,1-2H3,(H,13,16)(H,14,15)/b5-3+

InChIKey

XDUPUIUISDIOAT-HWKANZROSA-N

Compound name

[3-[[(E)-but-2-enoyl]amino]phenyl] N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 234.10045 Da
Monoisotopic Mass: 1.7
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]+	235.107726	152.7
[M+Na]+	257.089668	158.5
[M-H]-	233.093174	156.3
[M+NH4]+	252.134273	169.9
[M+K]+	273.063608	156.6
[M+H-H2O]+	217.097710	145.7
[M+HCOO]-	279.098651	177.6
[M+CH3COO]-	293.114301	194.1
[M+Na-2H]-	255.075116	156.7
[M]+	234.09990142	153.1
[M]-	234.10099858	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe