CID 3049818

65274-50-2

Structural Information

Molecular Formula
C23H35F3N4O2
SMILES
CCOC(=O)C(C)(C)N1CCN(CC1)CCN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C23H35F3N4O2/c1-4-32-21(31)22(2,3)30-16-12-28(13-17-30)9-8-27-10-14-29(15-11-27)20-7-5-6-19(18-20)23(24,25)26/h5-7,18H,4,8-17H2,1-3H3
InChIKey
MYIZHCKTKCIOOQ-UHFFFAOYSA-N
Compound name
ethyl 2-methyl-2-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.2712 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.27848 216.0
[M+Na]+ 479.26042 217.3
[M-H]- 455.26392 213.8
[M+NH4]+ 474.30502 218.2
[M+K]+ 495.23436 211.7
[M+H-H2O]+ 439.26846 201.0
[M+HCOO]- 501.26940 217.4
[M+CH3COO]- 515.28505 232.7
[M+Na-2H]- 477.24587 212.6
[M]+ 456.27065 207.0
[M]- 456.27175 207.0
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.