CID 156903

Cp 87652

Structural Information

Molecular Formula
C15H22ClNO3
SMILES
CCOCN(C1=C(C=CC=C1OC(C)C)C)C(=O)CCl
InChI
InChI=1S/C15H22ClNO3/c1-5-19-10-17(14(18)9-16)15-12(4)7-6-8-13(15)20-11(2)3/h6-8,11H,5,9-10H2,1-4H3
InChIKey
UAHGQVFLBQXPMP-UHFFFAOYSA-N
Compound name
2-chloro-N-(ethoxymethyl)-N-(2-methyl-6-propan-2-yloxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

299.1288 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13608 169.2
[M+Na]+ 322.11802 175.7
[M-H]- 298.12152 173.9
[M+NH4]+ 317.16262 186.0
[M+K]+ 338.09196 173.7
[M+H-H2O]+ 282.12606 163.0
[M+HCOO]- 344.12700 187.7
[M+CH3COO]- 358.14265 209.9
[M+Na-2H]- 320.10347 169.5
[M]+ 299.12825 177.0
[M]- 299.12935 177.0
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

patents stripe