CID 3049830

65274-62-6

Structural Information

Molecular Formula
C21H29F3N4O
SMILES
C1CC1C(=O)N2CCN(CC2)CCN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C21H29F3N4O/c22-21(23,24)18-2-1-3-19(16-18)27-12-8-25(9-13-27)6-7-26-10-14-28(15-11-26)20(29)17-4-5-17/h1-3,16-17H,4-15H2
InChIKey
BTVTXOGTPKILOD-UHFFFAOYSA-N
Compound name
cyclopropyl-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]piperazin-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.22934 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.23662 206.3
[M+Na]+ 433.21856 210.1
[M-H]- 409.22206 207.5
[M+NH4]+ 428.26316 205.9
[M+K]+ 449.19250 202.6
[M+H-H2O]+ 393.22660 191.1
[M+HCOO]- 455.22754 211.2
[M+CH3COO]- 469.24319 224.3
[M+Na-2H]- 431.20401 202.3
[M]+ 410.22879 197.0
[M]- 410.22989 197.0
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.