CID 3328631

2-chloro-n-methyl-2-phenyl-o-acetotoluidide

Structural Information

Molecular Formula
C16H16ClNO
SMILES
CC1=CC=CC=C1N(C)C(=O)C(C2=CC=CC=C2)Cl
InChI
InChI=1S/C16H16ClNO/c1-12-8-6-7-11-14(12)18(2)16(19)15(17)13-9-4-3-5-10-13/h3-11,15H,1-2H3
InChIKey
KETNFRHXQNZVNO-UHFFFAOYSA-N
Compound name
2-chloro-N-methyl-N-(2-methylphenyl)-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.09204 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.09932 162.0
[M+Na]+ 296.08126 168.6
[M-H]- 272.08476 169.8
[M+NH4]+ 291.12586 179.1
[M+K]+ 312.05520 164.6
[M+H-H2O]+ 256.08930 154.9
[M+HCOO]- 318.09024 181.2
[M+CH3COO]- 332.10589 203.4
[M+Na-2H]- 294.06671 165.0
[M]+ 273.09149 164.5
[M]- 273.09259 164.5
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.