CID 3068009

82608-10-4

Structural Information

Molecular Formula
C19H26F3N3O2
SMILES
C1CC(C(C1)NCCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C(=O)O
InChI
InChI=1S/C19H26F3N3O2/c20-19(21,22)14-3-1-4-15(13-14)25-11-9-24(10-12-25)8-7-23-17-6-2-5-16(17)18(26)27/h1,3-4,13,16-17,23H,2,5-12H2,(H,26,27)
InChIKey
RUUNBZUOZLMYOB-UHFFFAOYSA-N
Compound name
2-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethylamino]cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.19772 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.20500 190.4
[M+Na]+ 408.18694 192.7
[M-H]- 384.19044 190.7
[M+NH4]+ 403.23154 199.3
[M+K]+ 424.16088 187.2
[M+H-H2O]+ 368.19498 178.2
[M+HCOO]- 430.19592 199.6
[M+CH3COO]- 444.21157 217.8
[M+Na-2H]- 406.17239 186.8
[M]+ 385.19717 179.7
[M]- 385.19827 179.7
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.