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

13940
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

literature stripe

Patent stripe

patents stripe