CID 71758722

Methyl n-{4-[(2-chloroacetamido)methyl]phenyl}carbamate

Structural Information

Molecular Formula

C₁₁H₁₃ClN₂O₃

SMILES

COC(=O)NC1=CC=C(C=C1)CNC(=O)CCl

InChI

InChI=1S/C11H13ClN2O3/c1-17-11(16)14-9-4-2-8(3-5-9)7-13-10(15)6-12/h2-5H,6-7H2,1H3,(H,13,15)(H,14,16)

InChIKey

ZRHWYICKNOAONE-UHFFFAOYSA-N

Compound name

methyl N-[4-[[(2-chloroacetyl)amino]methyl]phenyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 256.06146 Da
Monoisotopic Mass: 1.6
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]+	257.068736	155.3
[M+Na]+	279.050678	162.0
[M-H]-	255.054184	158.9
[M+NH4]+	274.095283	172.6
[M+K]+	295.024618	158.9
[M+H-H2O]+	239.058720	149.4
[M+HCOO]-	301.059661	175.9
[M+CH3COO]-	315.075311	196.3
[M+Na-2H]-	277.036126	159.4
[M]+	256.06091142	158.4
[M]-	256.06200858	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.