CID 9361761

117459-38-8

Structural Information

Molecular Formula

C₁₄H₁₃ClN₂O₃

SMILES

C1=CC=C(C(=C1)C(=O)NCC2=CC=CO2)NC(=O)CCl

InChI

InChI=1S/C14H13ClN2O3/c15-8-13(18)17-12-6-2-1-5-11(12)14(19)16-9-10-4-3-7-20-10/h1-7H,8-9H2,(H,16,19)(H,17,18)

InChIKey

XKCUEYYBBXOLDO-UHFFFAOYSA-N

Compound name

2-[(2-chloroacetyl)amino]-N-(furan-2-ylmethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 292.06146 Da
Monoisotopic Mass: 2.1
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]+	293.068736	167.3
[M+Na]+	315.050678	173.7
[M-H]-	291.054184	174.6
[M+NH4]+	310.095283	183.0
[M+K]+	331.024618	170.3
[M+H-H2O]+	275.058720	160.3
[M+HCOO]-	337.059661	187.9
[M+CH3COO]-	351.075311	201.7
[M+Na-2H]-	313.036126	170.7
[M]+	292.06091142	170.4
[M]-	292.06200858	170.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe