CID 24842246

104373-73-1

Structural Information

Molecular Formula
C19H21F3N4O
SMILES
C1CN(C(CN1CCC(=O)N)C2=CC=CC=N2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C19H21F3N4O/c20-19(21,22)14-4-3-5-15(12-14)26-11-10-25(9-7-18(23)27)13-17(26)16-6-1-2-8-24-16/h1-6,8,12,17H,7,9-11,13H2,(H2,23,27)
InChIKey
KDYWZMLLILLLKI-UHFFFAOYSA-N
Compound name
3-[3-pyridin-2-yl-4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.16675 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.17403 190.8
[M+Na]+ 401.15597 195.9
[M-H]- 377.15947 191.1
[M+NH4]+ 396.20057 197.2
[M+K]+ 417.12991 189.0
[M+H-H2O]+ 361.16401 176.6
[M+HCOO]- 423.16495 201.2
[M+CH3COO]- 437.18060 219.7
[M+Na-2H]- 399.14142 190.9
[M]+ 378.16620 181.9
[M]- 378.16730 181.9
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.