CID 3051831

Lj 1160

Structural Information

Molecular Formula
C17H21F3N2O
SMILES
C1CC(C(=O)C1)CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C17H21F3N2O/c18-17(19,20)14-4-2-5-15(11-14)22-9-7-21(8-10-22)12-13-3-1-6-16(13)23/h2,4-5,11,13H,1,3,6-10,12H2
InChIKey
YTDNMQHMTAYWDM-UHFFFAOYSA-N
Compound name
2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

326.16058 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.16786 177.0
[M+Na]+ 349.14980 182.0
[M-H]- 325.15330 178.9
[M+NH4]+ 344.19440 189.5
[M+K]+ 365.12374 176.5
[M+H-H2O]+ 309.15784 164.9
[M+HCOO]- 371.15878 188.1
[M+CH3COO]- 385.17443 206.3
[M+Na-2H]- 347.13525 174.6
[M]+ 326.16003 167.1
[M]- 326.16113 167.1
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

patents stripe