CID 53245170

1312607-81-0

Structural Information

Molecular Formula
C18H23F3N2O3
SMILES
CCN1CC(OC(=O)C1CC(=O)NCC2=CC(=CC=C2)C(F)(F)F)(C)C
InChI
InChI=1S/C18H23F3N2O3/c1-4-23-11-17(2,3)26-16(25)14(23)9-15(24)22-10-12-6-5-7-13(8-12)18(19,20)21/h5-8,14H,4,9-11H2,1-3H3,(H,22,24)
InChIKey
DMDANNXONDIOJM-UHFFFAOYSA-N
Compound name
2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

372.16608 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.17336 186.8
[M+Na]+ 395.15530 193.4
[M-H]- 371.15880 188.4
[M+NH4]+ 390.19990 198.2
[M+K]+ 411.12924 190.6
[M+H-H2O]+ 355.16334 176.5
[M+HCOO]- 417.16428 199.4
[M+CH3COO]- 431.17993 219.7
[M+Na-2H]- 393.14075 187.5
[M]+ 372.16553 183.5
[M]- 372.16663 183.5
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