CID 56842109

Mk 0767

Structural Information

Molecular Formula
C20H17F3N2O5
SMILES
COC1=C(C=C(C=C1)CC2C(=O)NC(=O)O2)C(=O)NCC3=CC=C(C=C3)C(F)(F)F
InChI
InChI=1S/C20H17F3N2O5/c1-29-15-7-4-12(9-16-18(27)25-19(28)30-16)8-14(15)17(26)24-10-11-2-5-13(6-3-11)20(21,22)23/h2-8,16H,9-10H2,1H3,(H,24,26)(H,25,27,28)
InChIKey
ORZMUVMQJPGFOM-UHFFFAOYSA-N
Compound name
5-[(2,4-dioxo-1,3-oxazolidin-5-yl)methyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

12
References

8
Patents

422.10895 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.11623 200.2
[M+Na]+ 445.09817 207.2
[M+NH4]+ 440.14277 201.8
[M+K]+ 461.07211 205.1
[M-H]- 421.10167 198.9
[M+Na-2H]- 443.08362 201.6
[M]+ 422.10840 200.2
[M]- 422.10950 200.2
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