CID 28805279

1049604-75-2

Structural Information

Molecular Formula
C14H19ClN2O3
SMILES
CCCN(CC(=O)NC1=CC=CC=C1OC)C(=O)CCl
InChI
InChI=1S/C14H19ClN2O3/c1-3-8-17(14(19)9-15)10-13(18)16-11-6-4-5-7-12(11)20-2/h4-7H,3,8-10H2,1-2H3,(H,16,18)
InChIKey
NXCZZJXJRNCFHV-UHFFFAOYSA-N
Compound name
2-[(2-chloroacetyl)-propylamino]-N-(2-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.10843 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11571 169.0
[M+Na]+ 321.09765 174.5
[M-H]- 297.10115 173.5
[M+NH4]+ 316.14225 185.1
[M+K]+ 337.07159 172.1
[M+H-H2O]+ 281.10569 162.3
[M+HCOO]- 343.10663 189.1
[M+CH3COO]- 357.12228 209.3
[M+Na-2H]- 319.08310 170.8
[M]+ 298.10788 174.6
[M]- 298.10898 174.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.