CID 10957005

2-chloro-n-(2,6-diethylphenyl)-n-(ethoxymethyl)acetamide

Structural Information

Molecular Formula
C15H22ClNO2
SMILES
CCC1=C(C(=CC=C1)CC)N(COCC)C(=O)CCl
InChI
InChI=1S/C15H22ClNO2/c1-4-12-8-7-9-13(5-2)15(12)17(11-19-6-3)14(18)10-16/h7-9H,4-6,10-11H2,1-3H3
InChIKey
YUOGZFIPLSQKQU-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,6-diethylphenyl)-N-(ethoxymethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

283.1339 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.141176 166.8
[M+Na]+ 306.123118 173.6
[M-H]- 282.126624 171.4
[M+NH4]+ 301.167723 184.3
[M+K]+ 322.097058 170.5
[M+H-H2O]+ 266.131160 160.6
[M+HCOO]- 328.132101 186.0
[M+CH3COO]- 342.147751 207.1
[M+Na-2H]- 304.108566 168.2
[M]+ 283.13335142 173.7
[M]- 283.13444858 173.7
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

patents stripe