CID 3051835

Lj 1163

Structural Information

Molecular Formula
C25H28F6N4O
SMILES
C1CN(CCN1CC(=O)CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C25H28F6N4O/c26-24(27,28)19-3-1-5-21(15-19)34-11-7-32(8-12-34)17-23(36)18-33-9-13-35(14-10-33)22-6-2-4-20(16-22)25(29,30)31/h1-6,15-16H,7-14,17-18H2
InChIKey
LIIGXPRSBZMHBU-UHFFFAOYSA-N
Compound name
1,3-bis[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.21674 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.22402 226.7
[M+Na]+ 537.20596 229.6
[M-H]- 513.20946 224.0
[M+NH4]+ 532.25056 225.9
[M+K]+ 553.17990 220.6
[M+H-H2O]+ 497.21400 207.6
[M+HCOO]- 559.21494 225.0
[M+CH3COO]- 573.23059 241.4
[M+Na-2H]- 535.19141 221.7
[M]+ 514.21619 211.5
[M]- 514.21729 211.5
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.