CID 47002123

2-chloro-n-(2-cyanoethyl)-n-(2-methoxyphenyl)propanamide

Structural Information

Molecular Formula
C13H15ClN2O2
SMILES
CC(C(=O)N(CCC#N)C1=CC=CC=C1OC)Cl
InChI
InChI=1S/C13H15ClN2O2/c1-10(14)13(17)16(9-5-8-15)11-6-3-4-7-12(11)18-2/h3-4,6-7,10H,5,9H2,1-2H3
InChIKey
UYWHOLBFYDFNAA-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-cyanoethyl)-N-(2-methoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0822 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.08948 160.9
[M+Na]+ 289.07142 169.6
[M-H]- 265.07492 165.0
[M+NH4]+ 284.11602 176.8
[M+K]+ 305.04536 166.3
[M+H-H2O]+ 249.07946 148.4
[M+HCOO]- 311.08040 176.7
[M+CH3COO]- 325.09605 212.1
[M+Na-2H]- 287.05687 162.6
[M]+ 266.08165 160.4
[M]- 266.08275 160.4
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.