CID 57791

100346-60-9

Structural Information

Molecular Formula
C13H18ClNO3
SMILES
CCOCCN(C1=CC(=CC=C1)OC)C(=O)CCl
InChI
InChI=1S/C13H18ClNO3/c1-3-18-8-7-15(13(16)10-14)11-5-4-6-12(9-11)17-2/h4-6,9H,3,7-8,10H2,1-2H3
InChIKey
ZOSBQDXQRXFWFZ-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-ethoxyethyl)-N-(3-methoxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.09753 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.10481 160.7
[M+Na]+ 294.08675 167.3
[M-H]- 270.09025 165.2
[M+NH4]+ 289.13135 178.3
[M+K]+ 310.06069 165.2
[M+H-H2O]+ 254.09479 154.4
[M+HCOO]- 316.09573 180.8
[M+CH3COO]- 330.11138 201.9
[M+Na-2H]- 292.07220 163.9
[M]+ 271.09698 168.0
[M]- 271.09808 168.0
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.