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]+ 267.089476 160.9
[M+Na]+ 289.071418 169.6
[M-H]- 265.074924 165.0
[M+NH4]+ 284.116023 176.8
[M+K]+ 305.045358 166.3
[M+H-H2O]+ 249.079460 148.4
[M+HCOO]- 311.080401 176.7
[M+CH3COO]- 325.096051 212.1
[M+Na-2H]- 287.056866 162.6
[M]+ 266.08165142 160.4
[M]- 266.08274858 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.