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]+ 275.13658 161.1
[M+Na]+ 297.11852 166.5
[M-H]- 273.12202 160.4
[M+NH4]+ 292.16312 176.7
[M+K]+ 313.09246 163.5
[M+H-H2O]+ 257.12656 151.8
[M+HCOO]- 319.12750 180.0
[M+CH3COO]- 333.14315 204.4
[M+Na-2H]- 295.10397 163.4
[M]+ 274.12875 156.5
[M]- 274.12985 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.