CID 43265291

5-amino-2-chloro-n-ethyl-n-(propan-2-yl)benzamide

Structural Information

Molecular Formula

C₁₂H₁₇ClN₂O

SMILES

CCN(C(C)C)C(=O)C1=C(C=CC(=C1)N)Cl

InChI

InChI=1S/C12H17ClN2O/c1-4-15(8(2)3)12(16)10-7-9(14)5-6-11(10)13/h5-8H,4,14H2,1-3H3

InChIKey

ZIOOQQJCBHIGRE-UHFFFAOYSA-N

Compound name

5-amino-2-chloro-N-ethyl-N-propan-2-ylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.10294 Da
Monoisotopic Mass: 2.5
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]+	241.110216	155.5
[M+Na]+	263.092158	162.6
[M-H]-	239.095664	160.2
[M+NH4]+	258.136763	174.2
[M+K]+	279.066098	159.8
[M+H-H2O]+	223.100200	149.9
[M+HCOO]-	285.101141	175.0
[M+CH3COO]-	299.116791	201.3
[M+Na-2H]-	261.077606	156.4
[M]+	240.10239142	157.6
[M]-	240.10348858	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.