CID 25323416

2126161-23-5

Structural Information

Molecular Formula

C₁₃H₁₅ClN₂O₂

SMILES

C1CC1NC(=O)C2=CC=CC=C2NC(=O)CCCl

InChI

InChI=1S/C13H15ClN2O2/c14-8-7-12(17)16-11-4-2-1-3-10(11)13(18)15-9-5-6-9/h1-4,9H,5-8H2,(H,15,18)(H,16,17)

InChIKey

TXSSUOVDJSDRFN-UHFFFAOYSA-N

Compound name

2-(3-chloropropanoylamino)-N-cyclopropylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.0822 Da
Monoisotopic Mass: 2.0
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]+	267.089476	154.0
[M+Na]+	289.071418	161.4
[M-H]-	265.074924	161.0
[M+NH4]+	284.116023	166.0
[M+K]+	305.045358	156.2
[M+H-H2O]+	249.079460	147.7
[M+HCOO]-	311.080401	174.4
[M+CH3COO]-	325.096051	201.8
[M+Na-2H]-	287.056866	158.0
[M]+	266.08165142	157.6
[M]-	266.08274858	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.