CID 5966811

Crotonanilide, m-hydroxy-, tert-butylcarbamate (ester)

Structural Information

Molecular Formula

C₁₅H₂₀N₂O₃

SMILES

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

InChI

InChI=1S/C15H20N2O3/c1-5-7-13(18)16-11-8-6-9-12(10-11)20-14(19)17-15(2,3)4/h5-10H,1-4H3,(H,16,18)(H,17,19)/b7-5+

InChIKey

PEEKCTXVTSQPFG-FNORWQNLSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 276.1474 Da
Monoisotopic Mass: 2.5
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]+	277.154676	166.1
[M+Na]+	299.136618	171.1
[M-H]-	275.140124	169.5
[M+NH4]+	294.181223	181.8
[M+K]+	315.110558	169.1
[M+H-H2O]+	259.144660	159.3
[M+HCOO]-	321.145601	188.5
[M+CH3COO]-	335.161251	202.8
[M+Na-2H]-	297.122066	169.4
[M]+	276.14685142	167.1
[M]-	276.14794858	167.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe