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]+ 282.16191 168.0
[M+Na]+ 304.14385 175.8
[M-H]- 280.14735 171.8
[M+NH4]+ 299.18845 185.7
[M+K]+ 320.11779 171.1
[M+H-H2O]+ 264.15189 163.0
[M+HCOO]- 326.15283 184.6
[M+CH3COO]- 340.16848 205.5
[M+Na-2H]- 302.12930 169.7
[M]+ 281.15408 172.4
[M]- 281.15518 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.