CID 121538

Brn 1323262

Structural Information

Molecular Formula
C15H19F3N2O
SMILES
CCC(C(=O)NC1=CC=CC(=C1)C(F)(F)F)N2CCCC2
InChI
InChI=1S/C15H19F3N2O/c1-2-13(20-8-3-4-9-20)14(21)19-12-7-5-6-11(10-12)15(16,17)18/h5-7,10,13H,2-4,8-9H2,1H3,(H,19,21)
InChIKey
LTJKCHBZIKMGCT-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.14496 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.15224 168.1
[M+Na]+ 323.13418 172.5
[M-H]- 299.13768 168.8
[M+NH4]+ 318.17878 182.9
[M+K]+ 339.10812 168.9
[M+H-H2O]+ 283.14222 157.8
[M+HCOO]- 345.14316 183.4
[M+CH3COO]- 359.15881 204.3
[M+Na-2H]- 321.11963 167.6
[M]+ 300.14441 161.1
[M]- 300.14551 161.1
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.