CID 3040697

Piperazine, 1-(3-(diphenylamino)propionyl)-4-(p-fluorophenyl)-, monohydrochloride

Structural Information

Molecular Formula
C25H26FN3O
SMILES
C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CCN(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H26FN3O/c26-21-11-13-22(14-12-21)27-17-19-28(20-18-27)25(30)15-16-29(23-7-3-1-4-8-23)24-9-5-2-6-10-24/h1-14H,15-20H2
InChIKey
JOEKGOGIVACBDL-UHFFFAOYSA-N
Compound name
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(N-phenylanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.206 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.21328 199.1
[M+Na]+ 426.19522 201.1
[M-H]- 402.19872 206.8
[M+NH4]+ 421.23982 205.4
[M+K]+ 442.16916 194.7
[M+H-H2O]+ 386.20326 184.4
[M+HCOO]- 448.20420 214.6
[M+CH3COO]- 462.21985 205.6
[M+Na-2H]- 424.18067 199.7
[M]+ 403.20545 193.1
[M]- 403.20655 193.1
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.