CID 10044847

Org-24461

Structural Information

Molecular Formula
C19H20F3NO3
SMILES
CN(CCC(C1=CC=CC=C1)OC2=CC=C(C=C2)C(F)(F)F)CC(=O)O
InChI
InChI=1S/C19H20F3NO3/c1-23(13-18(24)25)12-11-17(14-5-3-2-4-6-14)26-16-9-7-15(8-10-16)19(20,21)22/h2-10,17H,11-13H2,1H3,(H,24,25)
InChIKey
KZWQAWBTWNPFPW-UHFFFAOYSA-N
Compound name
2-[methyl-[3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

22
Patents

367.13953 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.146806 184.4
[M+Na]+ 390.128748 188.6
[M-H]- 366.132254 186.3
[M+NH4]+ 385.173353 195.6
[M+K]+ 406.102688 185.4
[M+H-H2O]+ 350.136790 173.2
[M+HCOO]- 412.137731 201.0
[M+CH3COO]- 426.153381 218.6
[M+Na-2H]- 388.114196 184.8
[M]+ 367.13898142 182.6
[M]- 367.14007858 182.6
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