CID 23159805

864731-37-3

Structural Information

Molecular Formula
C20H15Cl2F3N2O4
SMILES
CC1=C(C=CC(=C1)C2=NOC(C2)(C3=CC(=CC(=C3)Cl)Cl)C(F)(F)F)C(=O)NCC(=O)O
InChI
InChI=1S/C20H15Cl2F3N2O4/c1-10-4-11(2-3-15(10)18(30)26-9-17(28)29)16-8-19(31-27-16,20(23,24)25)12-5-13(21)7-14(22)6-12/h2-7H,8-9H2,1H3,(H,26,30)(H,28,29)
InChIKey
FLSLJCITJHGBRN-UHFFFAOYSA-N
Compound name
2-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

474.0361 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.04338 199.8
[M+Na]+ 497.02532 208.9
[M+NH4]+ 492.06992 203.8
[M+K]+ 512.99926 204.4
[M-H]- 473.02882 199.1
[M+Na-2H]- 495.01077 204.1
[M]+ 474.03555 201.1
[M]- 474.03665 201.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe