CID 3056258

Brn 0495484

Structural Information

Molecular Formula
C17H18F3N3O
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCC(=O)NC2=CC=CC=N2
InChI
InChI=1S/C17H18F3N3O/c1-12(9-13-5-4-6-14(10-13)17(18,19)20)22-11-16(24)23-15-7-2-3-8-21-15/h2-8,10,12,22H,9,11H2,1H3,(H,21,23,24)
InChIKey
YDERJTDGBHAYKI-UHFFFAOYSA-N
Compound name
N-pyridin-2-yl-2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1402 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14748 176.8
[M+Na]+ 360.12942 181.6
[M-H]- 336.13292 177.6
[M+NH4]+ 355.17402 187.9
[M+K]+ 376.10336 176.8
[M+H-H2O]+ 320.13746 165.0
[M+HCOO]- 382.13840 194.5
[M+CH3COO]- 396.15405 214.7
[M+Na-2H]- 358.11487 180.1
[M]+ 337.13965 171.8
[M]- 337.14075 171.8
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.