CID 139594723

Dtxsid301027830

Structural Information

Molecular Formula

C₂₀H₂₃NO₃

SMILES

CC(C)(C)C1=CC=C(C=C1)CCOC(=O)C2=CC=CC=C2NC=O

InChI

InChI=1S/C20H23NO3/c1-20(2,3)16-10-8-15(9-11-16)12-13-24-19(23)17-6-4-5-7-18(17)21-14-22/h4-11,14H,12-13H2,1-3H3,(H,21,22)

InChIKey

DIOLSDIWIYNNOJ-UHFFFAOYSA-N

Compound name

2-(4-tert-butylphenyl)ethyl 2-formamidobenzoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 325.1678 Da
Monoisotopic Mass: 5.1
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]+	326.175076	179.0
[M+Na]+	348.157018	184.6
[M-H]-	324.160524	185.4
[M+NH4]+	343.201623	192.7
[M+K]+	364.130958	180.9
[M+H-H2O]+	308.165060	170.8
[M+HCOO]-	370.166001	200.8
[M+CH3COO]-	384.181651	211.6
[M+Na-2H]-	346.142466	182.5
[M]+	325.16725142	181.9
[M]-	325.16834858	181.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.