CID 66865191

1125812-54-5

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
2
Annotation Hits

0
References

80
Patents

352.1035 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.110776 177.6
[M+Na]+ 375.092718 183.5
[M-H]- 351.096224 177.8
[M+NH4]+ 370.137323 190.7
[M+K]+ 391.066658 179.8
[M+H-H2O]+ 335.100760 167.8
[M+HCOO]- 397.101701 194.7
[M+CH3COO]- 411.117351 218.0
[M+Na-2H]- 373.078166 179.8
[M]+ 352.10295142 174.6
[M]- 352.10404858 174.6
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