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

12
Patents

283.1339 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.14118 166.8
[M+Na]+ 306.12312 173.6
[M-H]- 282.12662 171.4
[M+NH4]+ 301.16772 184.3
[M+K]+ 322.09706 170.5
[M+H-H2O]+ 266.13116 160.6
[M+HCOO]- 328.13210 186.0
[M+CH3COO]- 342.14775 207.1
[M+Na-2H]- 304.10857 168.2
[M]+ 283.13335 173.7
[M]- 283.13445 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