CID 12746775

36020-94-7

Structural Information

Molecular Formula

C₁₆H₁₅ClN₂O₂

SMILES

CN(C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2)C(=O)CN

InChI

InChI=1S/C16H15ClN2O2/c1-19(15(20)10-18)14-8-7-12(17)9-13(14)16(21)11-5-3-2-4-6-11/h2-9H,10,18H2,1H3

InChIKey

HQJSGBKPXYZTRN-UHFFFAOYSA-N

Compound name

2-amino-N-(2-benzoyl-4-chlorophenyl)-N-methylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 25
Patents: 302.0822 Da
Monoisotopic Mass: 2.3
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]+	303.089476	169.2
[M+Na]+	325.071418	176.0
[M-H]-	301.074924	176.8
[M+NH4]+	320.116023	184.6
[M+K]+	341.045358	171.8
[M+H-H2O]+	285.079460	161.8
[M+HCOO]-	347.080401	189.2
[M+CH3COO]-	361.096051	210.2
[M+Na-2H]-	323.056866	170.8
[M]+	302.08165142	171.2
[M]-	302.08274858	171.2

Literature stripe

literature stripe

Patent stripe

patents stripe