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
3
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]+ 361.136976 179.7
[M+Na]+ 383.118918 182.4
[M-H]- 359.122424 180.2
[M+NH4]+ 378.163523 188.2
[M+K]+ 399.092858 181.3
[M+H-H2O]+ 343.126960 168.6
[M+HCOO]- 405.127901 190.7
[M+CH3COO]- 419.143551 212.1
[M+Na-2H]- 381.104366 183.1
[M]+ 360.12915142 173.9
[M]- 360.13024858 173.9
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