CID 66865191

4-acetyl-n-[2-oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl]-1-naphthalenecarboxamide

Structural Information

Molecular Formula
C17H15F3N2O3
SMILES
CC(=O)C1=CC=C(C2=CC=CC=C21)C(=O)NCC(=O)NCC(F)(F)F
InChI
InChI=1S/C17H15F3N2O3/c1-10(23)11-6-7-14(13-5-3-2-4-12(11)13)16(25)21-8-15(24)22-9-17(18,19)20/h2-7H,8-9H2,1H3,(H,21,25)(H,22,24)
InChIKey
YNFPTDDRPNHRHQ-UHFFFAOYSA-N
Compound name
4-acetyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]naphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

352.1035 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.11078 176.6
[M+Na]+ 375.09272 182.9
[M+NH4]+ 370.13732 179.8
[M+K]+ 391.06666 179.1
[M-H]- 351.09622 173.1
[M+Na-2H]- 373.07817 178.4
[M]+ 352.10295 175.9
[M]- 352.10405 175.9
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