CID 156905

Cp 89141

Structural Information

Molecular Formula
C15H22ClNO3
SMILES
CC1=C(C(=C(C=C1)C)OC)N(COC(C)C)C(=O)CCl
InChI
InChI=1S/C15H22ClNO3/c1-10(2)20-9-17(13(18)8-16)14-11(3)6-7-12(4)15(14)19-5/h6-7,10H,8-9H2,1-5H3
InChIKey
RLNUYAQNUQSCDN-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-methoxy-3,6-dimethylphenyl)-N-(propan-2-yloxymethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 168.2
[M+Na]+ 322.11802 175.7
[M-H]- 298.12152 173.3
[M+NH4]+ 317.16262 185.4
[M+K]+ 338.09196 173.8
[M+H-H2O]+ 282.12606 162.4
[M+HCOO]- 344.12700 186.8
[M+CH3COO]- 358.14265 211.2
[M+Na-2H]- 320.10347 168.0
[M]+ 299.12825 176.5
[M]- 299.12935 176.5
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