CID 51903

P-ethoxycarbanilic acid isopropyl ester

Structural Information

Molecular Formula

C₁₂H₁₇NO₃

SMILES

CCOC1=CC=C(C=C1)NC(=O)OC(C)C

InChI

InChI=1S/C12H17NO3/c1-4-15-11-7-5-10(6-8-11)13-12(14)16-9(2)3/h5-9H,4H2,1-3H3,(H,13,14)

InChIKey

KOWRPDYPDOSDRG-UHFFFAOYSA-N

Compound name

propan-2-yl N-(4-ethoxyphenyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 223.12085 Da
Monoisotopic Mass: 2.9
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]+	224.128126	150.9
[M+Na]+	246.110068	156.8
[M-H]-	222.113574	154.4
[M+NH4]+	241.154673	169.0
[M+K]+	262.084008	156.2
[M+H-H2O]+	206.118110	144.2
[M+HCOO]-	268.119051	174.4
[M+CH3COO]-	282.134701	192.0
[M+Na-2H]-	244.095516	154.5
[M]+	223.12030142	153.7
[M]-	223.12139858	153.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.