CID 3963

Loviride

Structural Information

Molecular Formula

C₁₇H₁₆Cl₂N₂O₂

SMILES

CC1=CC(=C(C=C1)C(=O)C)NC(C2=C(C=CC=C2Cl)Cl)C(=O)N

InChI

InChI=1S/C17H16Cl2N2O2/c1-9-6-7-11(10(2)22)14(8-9)21-16(17(20)23)15-12(18)4-3-5-13(15)19/h3-8,16,21H,1-2H3,(H2,20,23)

InChIKey

CJPLEFFCVDQQFZ-UHFFFAOYSA-N

Compound name

2-(2-acetyl-5-methylanilino)-2-(2,6-dichlorophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 63
References: 8848
Patents: 350.05887 Da
Monoisotopic Mass: 4.4
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]+	351.066146	178.9
[M+Na]+	373.048088	187.0
[M-H]-	349.051594	184.9
[M+NH4]+	368.092693	192.7
[M+K]+	389.022028	180.7
[M+H-H2O]+	333.056130	173.1
[M+HCOO]-	395.057071	192.1
[M+CH3COO]-	409.072721	218.1
[M+Na-2H]-	371.033536	177.5
[M]+	350.05832142	181.8
[M]-	350.05941858	181.8

Literature stripe

literature stripe

Patent stripe

patents stripe