CID 58430

P-chlorobenzyl n-(2-(diethylamino)ethyl)carbamate hydrochloride

Structural Information

Molecular Formula

C₁₄H₂₁ClN₂O₂

SMILES

CCN(CC)CCNC(=O)OCC1=CC=C(C=C1)Cl

InChI

InChI=1S/C14H21ClN2O2/c1-3-17(4-2)10-9-16-14(18)19-11-12-5-7-13(15)8-6-12/h5-8H,3-4,9-11H2,1-2H3,(H,16,18)

InChIKey

BBRBMOXEQCBPKW-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)methyl N-[2-(diethylamino)ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 284.12915 Da
Monoisotopic Mass: 2.8
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]+	285.136426	167.6
[M+Na]+	307.118368	173.1
[M-H]-	283.121874	171.9
[M+NH4]+	302.162973	184.5
[M+K]+	323.092308	170.2
[M+H-H2O]+	267.126410	160.9
[M+HCOO]-	329.127351	188.2
[M+CH3COO]-	343.143001	207.2
[M+Na-2H]-	305.103816	170.4
[M]+	284.12860142	173.0
[M]-	284.12969858	173.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.