CID 3049832

65274-64-8

Structural Information

Molecular Formula
C24H28ClF3N4O
SMILES
C1CN(CCN1CCN2CCN(CC2)C(=O)C3=CC=CC=C3Cl)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C24H28ClF3N4O/c25-22-7-2-1-6-21(22)23(33)32-16-12-30(13-17-32)9-8-29-10-14-31(15-11-29)20-5-3-4-19(18-20)24(26,27)28/h1-7,18H,8-17H2
InChIKey
LESRKJYJQVZWEK-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)-[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

480.19037 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.19765 217.3
[M+Na]+ 503.17959 220.6
[M-H]- 479.18309 218.0
[M+NH4]+ 498.22419 218.8
[M+K]+ 519.15353 211.4
[M+H-H2O]+ 463.18763 200.2
[M+HCOO]- 525.18857 216.2
[M+CH3COO]- 539.20422 220.2
[M+Na-2H]- 501.16504 213.1
[M]+ 480.18982 207.9
[M]- 480.19092 207.9
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.