CID 3069256

84459-95-0

Structural Information

Molecular Formula
C19H19F3N2O2
SMILES
C1C(OC(=O)N1C2=CC=C(C=C2)CCC3=CC(=CC=C3)C(F)(F)F)CN
InChI
InChI=1S/C19H19F3N2O2/c20-19(21,22)15-3-1-2-14(10-15)5-4-13-6-8-16(9-7-13)24-12-17(11-23)26-18(24)25/h1-3,6-10,17H,4-5,11-12,23H2
InChIKey
UUZKDXKNAOMOMQ-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-3-[4-[2-[3-(trifluoromethyl)phenyl]ethyl]phenyl]-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.13986 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.14714 184.9
[M+Na]+ 387.12908 192.2
[M-H]- 363.13258 189.6
[M+NH4]+ 382.17368 195.9
[M+K]+ 403.10302 187.1
[M+H-H2O]+ 347.13712 173.5
[M+HCOO]- 409.13806 200.7
[M+CH3COO]- 423.15371 216.3
[M+Na-2H]- 385.11453 184.4
[M]+ 364.13931 180.4
[M]- 364.14041 180.4
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

No patent data available for this compound.