CID 2393435

2-chloro-n-(2-cyanoethyl)-n-(3,5-dimethylphenyl)acetamide

Structural Information

Molecular Formula
C13H15ClN2O
SMILES
CC1=CC(=CC(=C1)N(CCC#N)C(=O)CCl)C
InChI
InChI=1S/C13H15ClN2O/c1-10-6-11(2)8-12(7-10)16(5-3-4-15)13(17)9-14/h6-8H,3,5,9H2,1-2H3
InChIKey
BYWYEBONAMUZGE-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

250.0873 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.09458 154.5
[M+Na]+ 273.07652 166.5
[M+NH4]+ 268.12112 159.2
[M+K]+ 289.05046 156.6
[M-H]- 249.08002 149.9
[M+Na-2H]- 271.06197 158.1
[M]+ 250.08675 154.3
[M]- 250.08785 154.3
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

patents stripe