CID 3049844

65274-77-3

Structural Information

Molecular Formula
C20H29F3N4O2
SMILES
CCOC(=O)N1CCN(CC1)CCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C20H29F3N4O2/c1-2-29-19(28)27-14-10-25(11-15-27)7-6-24-8-12-26(13-9-24)18-5-3-4-17(16-18)20(21,22)23/h3-5,16H,2,6-15H2,1H3
InChIKey
UMJGSXCKRLCOKS-UHFFFAOYSA-N
Compound name
ethyl 4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.22427 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.23155 203.9
[M+Na]+ 437.21349 206.3
[M-H]- 413.21699 201.9
[M+NH4]+ 432.25809 207.8
[M+K]+ 453.18743 200.6
[M+H-H2O]+ 397.22153 188.7
[M+HCOO]- 459.22247 208.0
[M+CH3COO]- 473.23812 222.8
[M+Na-2H]- 435.19894 200.7
[M]+ 414.22372 194.4
[M]- 414.22482 194.4
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.