CID 3770676

1049751-46-3

Structural Information

Molecular Formula
C13H17F3N2O
SMILES
CCC(C)NCC(=O)NC1=CC=CC=C1C(F)(F)F
InChI
InChI=1S/C13H17F3N2O/c1-3-9(2)17-8-12(19)18-11-7-5-4-6-10(11)13(14,15)16/h4-7,9,17H,3,8H2,1-2H3,(H,18,19)
InChIKey
NDOMXUNDXMPPMQ-UHFFFAOYSA-N
Compound name
2-(butan-2-ylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.1293 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.136576 161.1
[M+Na]+ 297.118518 166.5
[M-H]- 273.122024 160.4
[M+NH4]+ 292.163123 176.7
[M+K]+ 313.092458 163.5
[M+H-H2O]+ 257.126560 151.8
[M+HCOO]- 319.127501 180.0
[M+CH3COO]- 333.143151 204.4
[M+Na-2H]- 295.103966 163.4
[M]+ 274.12875142 156.5
[M]- 274.12984858 156.5
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.