CID 82348

10097-16-2

Structural Information

Molecular Formula

C₁₉H₂₂N₂O₄

SMILES

CCOC(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)OCC

InChI

InChI=1S/C19H22N2O4/c1-3-24-18(22)20-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)21-19(23)25-4-2/h5-12H,3-4,13H2,1-2H3,(H,20,22)(H,21,23)

InChIKey

AXHTZVWDOXONQF-UHFFFAOYSA-N

Compound name

ethyl N-[4-[[4-(ethoxycarbonylamino)phenyl]methyl]phenyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 88
Patents: 342.15796 Da
Monoisotopic Mass: 3.7
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]+	343.16524	182.9
[M+Na]+	365.14718	193.4
[M+NH4]+	360.19178	188.5
[M+K]+	381.12112	187.2
[M-H]-	341.15068	186.4
[M+Na-2H]-	363.13263	189.3
[M]+	342.15741	185.1
[M]-	342.15851	185.1

Literature stripe

literature stripe

Patent stripe

patents stripe