CID 39869327

N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-chloroacetamide

Structural Information

Molecular Formula
C16H24ClNO
SMILES
CC1=CC(=CC(=C1CCNC(=O)CCl)C)C(C)(C)C
InChI
InChI=1S/C16H24ClNO/c1-11-8-13(16(3,4)5)9-12(2)14(11)6-7-18-15(19)10-17/h8-9H,6-7,10H2,1-5H3,(H,18,19)
InChIKey
UJXCCMQHGQJWEA-UHFFFAOYSA-N
Compound name
N-[2-(4-tert-butyl-2,6-dimethylphenyl)ethyl]-2-chloroacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.15463 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.161906 168.0
[M+Na]+ 304.143848 175.8
[M-H]- 280.147354 171.8
[M+NH4]+ 299.188453 185.7
[M+K]+ 320.117788 171.1
[M+H-H2O]+ 264.151890 163.0
[M+HCOO]- 326.152831 184.6
[M+CH3COO]- 340.168481 205.5
[M+Na-2H]- 302.129296 169.7
[M]+ 281.15408142 172.4
[M]- 281.15517858 172.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.