CID 53245045

1312607-51-4

Structural Information

Molecular Formula
C17H22Cl2N2O3
SMILES
CCN1CC(OC(=O)C1CC(=O)NCC2=CC(=C(C=C2)Cl)Cl)(C)C
InChI
InChI=1S/C17H22Cl2N2O3/c1-4-21-10-17(2,3)24-16(23)14(21)8-15(22)20-9-11-5-6-12(18)13(19)7-11/h5-7,14H,4,8-10H2,1-3H3,(H,20,22)
InChIKey
NTZYLCNXIYFDAE-UHFFFAOYSA-N
Compound name
N-[(3,4-dichlorophenyl)methyl]-2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

372.10074 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.10802 183.7
[M+Na]+ 395.08996 191.9
[M-H]- 371.09346 188.9
[M+NH4]+ 390.13456 196.9
[M+K]+ 411.06390 187.3
[M+H-H2O]+ 355.09800 177.5
[M+HCOO]- 417.09894 192.0
[M+CH3COO]- 431.11459 217.8
[M+Na-2H]- 393.07541 184.0
[M]+ 372.10019 187.8
[M]- 372.10129 187.8
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