CID 389129

Nsc684814

Structural Information

Molecular Formula
C16H19F3N2O4
SMILES
CCOC(=O)C(C(F)(F)F)(NC(=O)C1=CC=CC=C1)N2CCOCC2
InChI
InChI=1S/C16H19F3N2O4/c1-2-25-14(23)15(16(17,18)19,21-8-10-24-11-9-21)20-13(22)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,20,22)
InChIKey
BXCXPMIAMBTWPU-UHFFFAOYSA-N
Compound name
ethyl 2-benzamido-3,3,3-trifluoro-2-morpholin-4-ylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

5
Patents

360.1297 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.13698 182.2
[M+Na]+ 383.11892 187.1
[M+NH4]+ 378.16352 184.4
[M+K]+ 399.09286 184.7
[M-H]- 359.12242 179.1
[M+Na-2H]- 381.10437 183.8
[M]+ 360.12915 181.4
[M]- 360.13025 181.4
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