CID 6450826

Pethoxamid

Structural Information

Molecular Formula
C16H22ClNO2
SMILES
CCOCCN(C(=O)CCl)C(=C(C)C)C1=CC=CC=C1
InChI
InChI=1S/C16H22ClNO2/c1-4-20-11-10-18(15(19)12-17)16(13(2)3)14-8-6-5-7-9-14/h5-9H,4,10-12H2,1-3H3
InChIKey
CSWIKHNSBZVWNQ-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

3
References

14932
Patents

295.1339 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.14118 171.4
[M+Na]+ 318.12312 175.9
[M-H]- 294.12662 175.3
[M+NH4]+ 313.16772 187.7
[M+K]+ 334.09706 172.8
[M+H-H2O]+ 278.13116 164.9
[M+HCOO]- 340.13210 188.6
[M+CH3COO]- 354.14775 207.9
[M+Na-2H]- 316.10857 171.2
[M]+ 295.13335 176.0
[M]- 295.13445 176.0
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.